Geometry & MOs

Info

ID:	38818
PubChem CID:	8137976
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	2.08
IP(EA), eV:	-9.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-phenylpropanoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations