Geometry & MOs

Info

ID:	44083
PubChem CID:	10500668
Reduced:	N3O4C21H33 (1)
Stoich.:	A3B4C21D33 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-216.55
Dipole, Da:	3.82
IP(EA), eV:	-9.45(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)CC(=O)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations