Geometry & MOs

Info

ID:	12727
PubChem CID:	144602
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	3.3
IP(EA), eV:	-9.34(2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydro-as-indacen-4-ol

Drug info:

PubChemData

Smile

C1CC2C3CCCC3C(C(C2C1)N)O

DOS

IR

Vibrations