Geometry & MOs

Info

ID:

448582

PubChem CID:

135292086

Reduced:

O2N5C28H31 (1)

Stoich.:

A2B5C28D31 (1)

Weight, g/mol:

500.289974

ΔHf, kcal/mol:

18.72

Dipole, Da:

6.98

IP(EA), eV:

 -8.88(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-1-amino-3-benzyliminoprop-1-en-2-yl]-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CCOC)C2=NC(=C(C=C2C#N)C3=CC4=C(C=C3)N=CC=C4)C5CCC5

DOS

IR

Vibrations