Geometry & MOs

Info

ID:	241115
PubChem CID:	96021247
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	4.78
IP(EA), eV:	-9.05(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-4-[(3-chloropyridin-4-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)[C@@H]3CC(=O)N(C3)C(C)C

DOS

IR

Vibrations