Geometry & MOs

Info

ID:	403822
PubChem CID:	135062059
Reduced:	O2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	387.219829
ΔH_f, kcal/mol:	-23.44
Dipole, Da:	2.03
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,9aS)-5-methoxy-2,3-diphenyl-4-propan-2-ylidene-3,3a,6,7,8,9-hexahydroindeno[1,7a-d][1,2]oxazole

Drug info:

PubChemData

Smile

CC1(C=C(C1CCOC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations