Geometry & MOs

Info

ID:

448604

PubChem CID:

135292171

Reduced:

O2N7C27H27 (1)

Stoich.:

A2B7C27D27 (1)

Weight, g/mol:

444.26376

ΔHf, kcal/mol:

128.54

Dipole, Da:

6.94

IP(EA), eV:

 -8.91(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1Z,3Z)-1-amino-3-(aminomethylidene)penta-1,4-dienyl]-2-[4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-6-cyclopropylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CCN=O)C2=NC(=C(C=C2C#N)C3=C4C(=CC=C3)N=C(C=N4)C=C)C5CC5

DOS

IR

Vibrations