Geometry & MOs

Info

ID:	21446
PubChem CID:	588336
Reduced:	NO3C23H37 (1)
Stoich.:	AB3C23D37 (1)
Weight, g/mol:	375.277344
ΔH_f, kcal/mol:	-172.38
Dipole, Da:	4.04
IP(EA), eV:	-9.18(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2N(C)CCC(=O)O)CC=C4C3(CCC(C4)O)C

DOS

IR

Vibrations