Geometry & MOs

Info

ID:	183928
PubChem CID:	77090932
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	378.124739
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	4.6
IP(EA), eV:	-9.37(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-4-cyano-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(CC2=CC=NC=C2)C(=O)C3=NC=C(C=C3)O

DOS

IR

Vibrations