Geometry & MOs

Info

ID:	17106
PubChem CID:	484413
Reduced:	NOC21H33 (1)
Stoich.:	ABC21D33 (1)
Weight, g/mol:	315.256215
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	0.69
IP(EA), eV:	-8.09(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-amine

Drug info:

PubChemData

Smile

CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1OC)N)(CCCC3(C)C)C

DOS

IR

Vibrations