Geometry & MOs

Info

ID:	38921
PubChem CID:	8138161
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-69.12
Dipole, Da:	2.78
IP(EA), eV:	-9.42(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[2-oxo-2-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)NNC(=O)C2=CC=CN2)C

DOS

IR

Vibrations