Geometry & MOs

Info

ID:

448583

PubChem CID:

135292090

Reduced:

O2N6C29H36 (1)

Stoich.:

A2B6C29D36 (1)

Weight, g/mol:

500.289974

ΔHf, kcal/mol:

29.91

Dipole, Da:

4.47

IP(EA), eV:

 -8.58(-0.7)

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-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)CCOC)C2=NC(=C(C(=C2C#N)C)/C(=C/N)/C=NCC3=CC=CC=C3)C4CC4

DOS

IR

Vibrations