Geometry & MOs

Info

ID:	396382
PubChem CID:	135028234
Reduced:	NH21C31 (1)
Stoich.:	AB21C31 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	154.0
Dipole, Da:	4.62
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,5R)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations