Geometry & MOs

Info

ID:	133751
PubChem CID:	51586015
Reduced:	ClO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-55.3
Dipole, Da:	4.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756819
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-5-quinoxalin-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C

DOS

IR

Vibrations