Geometry & MOs

Info

ID:	221364
PubChem CID:	85272314
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	5.52
IP(EA), eV:	-8.8(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2,3,5,6,7,8-hexahydro-1,4-benzoxazin-8a-ol

Drug info:

PubChemData

Smile

CN1C2CCC3=C(C2CC1=O)C=C(C=C3)OC

DOS

IR

Vibrations