Geometry & MOs

Info

ID:	140783
PubChem CID:	52759281
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	340.159849
ΔH_f, kcal/mol:	-157.74
Dipole, Da:	4.56
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC(=O)CN2CCO[C@H]3[C@@H]2CCCC3

DOS

IR

Vibrations