Geometry & MOs

Info

ID:	387502
PubChem CID:	134985607
Reduced:	NOPC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	435.204573
ΔH_f, kcal/mol:	14.21
Dipole, Da:	5.3
IP(EA), eV:	-9.52(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxido-6-[(1R,2S)-2-phenylcyclohexyl]oxy-5-prop-2-enyl-5,6-dihydro-4H-oxazin-2-ium-4-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@](N1)(CC=C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations