Geometry & MOs

Info

ID:	196512
PubChem CID:	78839671
Reduced:	NOCl2C9H15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-68.72
Dipole, Da:	2.68
IP(EA), eV:	-9.91(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[(3-methylphenyl)methoxy]benzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1CC1(Cl)Cl

DOS

IR

Vibrations