Geometry & MOs

Info

ID:

323789

PubChem CID:

126676184

Reduced:

O2N7C35H45 (1)

Stoich.:

A2B7C35D45 (1)

Weight, g/mol:

423.263425

ΔHf, kcal/mol:

4.42

Dipole, Da:

2.5

IP(EA), eV:

 -8.25(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-N-[(1S,2S)-2-[(3Z)-5,5-dimethylhepta-1,3,6-trien-4-yl]oxycyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)CO[C@H]3CCC[C@@H]3NC(=O)C4=C(N=CC(=C4)/C(=C/N)/C=NC)N)N5CCN(CC5)C

DOS

IR

Vibrations