Geometry & MOs

Info

ID:	220290
PubChem CID:	85177262
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	243.162314
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	3.95
IP(EA), eV:	-9.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-methylidene-3a,4,5,6,7,7a-hexahydro-2H-indol-4-ol

Drug info:

PubChemData

Smile

CC1(C(C1(C)C(=O)OC)C2=CC=C(C=C2)C#N)C

DOS

IR

Vibrations