Geometry & MOs

Info

ID:	124834
PubChem CID:	50897904
Reduced:	ClNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	4.19
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S,5R,8S,9S)-6,8,9-trimethyl-4-phenyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-phenylcarbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=C[C@@]([C@H]3C2=O)(O4)C)Cl

DOS

IR

Vibrations