Geometry & MOs

Info

ID:	38817
PubChem CID:	8137975
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-26.77
Dipole, Da:	8.13
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=CN3)[N+](=O)[O-]

DOS

IR

Vibrations