Geometry & MOs

Info

ID:	222200
PubChem CID:	85295177
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	49.44
Dipole, Da:	1.53
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-9-ol

Drug info:

PubChemData

Smile

C1CC2C3C(C1C4=NC=CN=C24)NCCN3

DOS

IR

Vibrations