Geometry & MOs

Info

ID:	38971
PubChem CID:	8138270
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-29.09
Dipole, Da:	2.39
IP(EA), eV:	-9.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(3,4-dimethoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations