Geometry & MOs

Info

ID:	19468
PubChem CID:	564468
Reduced:	NC21H23 (1)
Stoich.:	AB21C23 (1)
Weight, g/mol:	289.18305
ΔH_f, kcal/mol:	75.06
Dipole, Da:	3.61
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methyl-13-prop-1-en-2-yltetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,8-tetraene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C(C1)C3C2(C4=CC=CC=C4C=C3)C#N)C

DOS

IR

Vibrations