Geometry & MOs

Info

ID:	146312
PubChem CID:	53669147
Reduced:	O3N5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	328.24023
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	5.77
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S)-10,13-dimethyl-3-propoxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CN(CCC(=O)O)C(=O)C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations