Geometry & MOs

Info

ID:	38888
PubChem CID:	8138112
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	2.68
IP(EA), eV:	-8.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations