Geometry & MOs

Info

ID:	39459
PubChem CID:	8140880
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	416.246378
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	6.04
IP(EA), eV:	-8.82(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenyladamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)[C@H](C)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations