Geometry & MOs

Info

ID:	38835
PubChem CID:	8138017
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	2.75
IP(EA), eV:	-9.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations