Geometry & MOs

Info

ID:	179811
PubChem CID:	76534493
Reduced:	FON6H23C25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	349.240565
ΔH_f, kcal/mol:	58.89
Dipole, Da:	6.61
IP(EA), eV:	-9.03(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-16-pyridin-3-yl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CC=N2)C(=O)N3CC4C3CN(CC4)C5=CN=C6C=C(C=CC6=N5)F

DOS

IR

Vibrations