Geometry & MOs

Info

ID:	79916
PubChem CID:	49831303
Reduced:	ON2H16C23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	462.240624
ΔH_f, kcal/mol:	55.57
Dipole, Da:	1.13
IP(EA), eV:	-8.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1aR,3aS,7aS,7bS)-1a,4,4,7a-tetramethyl-2,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxiren-7b-yl]-(6-phenylmethoxy-1,3-benzodioxol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=NC4=CC=CC=C4C(=C3C2=O)C5=CC=CC=C5

DOS

IR

Vibrations