Geometry & MOs

Info

ID:

446598

PubChem CID:

135276283

Reduced:

O2N6C21H30 (1)

Stoich.:

A2B6C21D30 (1)

Weight, g/mol:

428.217203

ΔHf, kcal/mol:

-32.36

Dipole, Da:

4.34

IP(EA), eV:

 -8.21(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl N-[4-[(12-methyl-4,7-dioxa-11,13,14,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,12,14,16-hexaen-16-yl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OC)N3C(=NN=C3C(=N2)NCCCCNC(=O)CC(C)C)C

DOS

IR

Vibrations