Geometry & MOs

Info

ID:	38990
PubChem CID:	8138301
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	382.108876
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	2.24
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=CN2)OCC

DOS

IR

Vibrations