Geometry & MOs

Info

ID:	400977
PubChem CID:	135049609
Reduced:	NC19H35 (1)
Stoich.:	AB19C35 (1)
Weight, g/mol:	295.23
ΔH_f, kcal/mol:	-16.67
Dipole, Da:	3.88
IP(EA), eV:	-9.57(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)acetonitrile

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC[N+]#[C-]

DOS

IR

Vibrations