Geometry & MOs

Info

ID:	221275
PubChem CID:	85267082
Reduced:	NO5C20H35 (1)
Stoich.:	AB5C20D35 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	-196.78
Dipole, Da:	4.55
IP(EA), eV:	-8.54(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCCNC(C)C)C

DOS

IR

Vibrations