Geometry & MOs

Info

ID:	174921
PubChem CID:	75832706
Reduced:	O2N3C22H36 (1)
Stoich.:	A2B3C22D36 (1)
Weight, g/mol:	373.272927
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	4.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755318
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-[(2-phenylacetyl)amino]propanamide

Drug info:

PubChemData

Smile

CC1CC(C[NH+](C1)C(C)(C)CNC(=O)CCNC(=O)CC2=CC=CC=C2)C

DOS

IR

Vibrations