Geometry & MOs

Info

ID:	38859
PubChem CID:	8138066
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	4.68
IP(EA), eV:	-8.96(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)O[C@@H](C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations