Geometry & MOs

Info

ID:	148383
PubChem CID:	53788045
Reduced:	N4O5C19H26 (1)
Stoich.:	A4B5C19D26 (1)
Weight, g/mol:	195.079647
ΔH_f, kcal/mol:	-182.89
Dipole, Da:	7.24
IP(EA), eV:	-8.59(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-3-(1H-pyrrol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC(=O)[C@H](COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)N)N

DOS

IR

Vibrations