Geometry & MOs

Info

ID:	38890
PubChem CID:	8138116
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	-58.28
Dipole, Da:	1.72
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NNC(=O)C2=CC=CN2)OCC3=CC=CC=C3

DOS

IR

Vibrations