Geometry & MOs

Info

ID:	145679
PubChem CID:	53569698
Reduced:	NC2H2 (8)
Stoich.:	AB2C2 (8)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	131.75
Dipole, Da:	5.53
IP(EA), eV:	-8.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-amino-2-oxoethyl)phenyl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)NC2=CN(N=C2)CC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations