Geometry & MOs

Info

ID:	161048
PubChem CID:	57390622
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	415.34503
ΔH_f, kcal/mol:	-40.99
Dipole, Da:	6.76
IP(EA), eV:	-8.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]oxy]-3-(diethylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC1(CCCN(C1)CCNC2=NC3=C(S2)C(=O)CCC3)C

DOS

IR

Vibrations