Geometry & MOs

Info

ID:	143044
PubChem CID:	53138232
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	324.12224
ΔH_f, kcal/mol:	9.98
Dipole, Da:	3.73
IP(EA), eV:	-8.63(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2=CC=CN2CC3=NOC(=N3)C)C

DOS

IR

Vibrations