Geometry & MOs

Info

ID:	175078
PubChem CID:	75852482
Reduced:	N3O3C23H38 (1)
Stoich.:	A3B3C23D38 (1)
Weight, g/mol:	403.283492
ΔH_f, kcal/mol:	-115.17
Dipole, Da:	3.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753522
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CC1CC(C[NH+](C1)CCCNC(=O)C(C(C)C)NC(=O)COC2=CC=CC=C2)C

DOS

IR

Vibrations