Geometry & MOs

Info

ID:	38887
PubChem CID:	8138110
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	1.21
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-methylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations