Geometry & MOs

Info

ID:	394115
PubChem CID:	135022372
Reduced:	NH2C4 (2)
Stoich.:	AB2C4 (2)
Weight, g/mol:	224.214016
ΔH_f, kcal/mol:	176.53
Dipole, Da:	2.62
IP(EA), eV:	-10.16(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aR)-3,3,3a,4,4-pentamethyl-1,2,5,6,7,7a-hexahydroinden-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC2=C(C#CC=N2)N=C1

DOS

IR

Vibrations