Geometry & MOs

Info

ID:	35127
PubChem CID:	7979352
Reduced:	NO3C22H30 (1)
Stoich.:	AB3C22D30 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	3.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754034
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-cyclopentylacetyl)thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](C2=CC=CC=C2)OC[C@H](C[NH+]3CCC[C@@H](C3)O)O

DOS

IR

Vibrations