Geometry & MOs

Info

ID:

448601

PubChem CID:

135292161

Reduced:

O2N5C26H29 (1)

Stoich.:

A2B5C26D29 (1)

Weight, g/mol:

443.243359

ΔHf, kcal/mol:

48.96

Dipole, Da:

4.45

IP(EA), eV:

 -9.19(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-1-amino-3-(cyanomethylimino)prop-1-en-2-yl]-2-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CC2CCO2)C3=NC(=C(C=C3C#N)C4=CC(=NC=C4)C=C)C5CC5

DOS

IR

Vibrations