Geometry & MOs

Info

ID:	32489
PubChem CID:	7838917
Reduced:	ClN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	336.12407
ΔH_f, kcal/mol:	-106.48
Dipole, Da:	5.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756308
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,9aS)-3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl]-N-(3-chloro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CC[NH+]2[C@@H](C1)COC(=O)[C@H]2CC(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations