Geometry & MOs

Info

ID:	138049
PubChem CID:	52303649
Reduced:	O3N4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-79.9
Dipole, Da:	7.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977322
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-[(3-cyclopentylpropanoylamino)methyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)[NH2+]CC(=O)NC3=CC=C(C=C3)C(=O)N(C)C

DOS

IR

Vibrations