Geometry & MOs

Info

ID:	16042
PubChem CID:	458454
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	1.05
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(dimethylamino)methyl]-1,2,3,4-tetrahydrophenanthren-4-ol

Drug info:

PubChemData

Smile

CN(C)CC1CCC2=C(C1O)C3=CC=CC=C3C=C2

DOS

IR

Vibrations