Geometry & MOs

Info

ID:	399365
PubChem CID:	135039878
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	56.12
Dipole, Da:	1.93
IP(EA), eV:	-8.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(4S,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C#CC2=CC=CC=C2N

DOS

IR

Vibrations