Geometry & MOs

Info

ID:	187684
PubChem CID:	77609646
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	512.459331
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	5.54
IP(EA), eV:	-9.55(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,10,13-trimethyl-17-(4,5,6-trimethylhept-3-en-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentanoate

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)CO)C(C)(C)C

DOS

IR

Vibrations