Geometry & MOs

Info

ID:	38884
PubChem CID:	8138105
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	2.14
IP(EA), eV:	-8.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-butoxy-3-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)OCC2=NC(=NC(=N2)N)N)C

DOS

IR

Vibrations