Geometry & MOs

Info

ID:	138266
PubChem CID:	52336453
Reduced:	N3O3C20H32 (1)
Stoich.:	A3B3C20D32 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-114.07
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755534
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NCC2=CC(=CC=C2)OC

DOS

IR

Vibrations