Geometry & MOs

Info

ID:	53443
PubChem CID:	14716013
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	-12.75
Dipole, Da:	2.01
IP(EA), eV:	-9.24(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-8-phenylsulfanyl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-1-ol

Drug info:

PubChemData

Smile

C=CCCNC(CO)C1=CC=CC=C1

DOS

IR

Vibrations