Geometry & MOs

Info

ID:	43629
PubChem CID:	10321565
Reduced:	NC3H7 (2)
Stoich.:	AB3C7 (2)
Weight, g/mol:	450.14057
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	2.56
IP(EA), eV:	-9.2(2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]propyl 2-bromoacetate

Drug info:

PubChemData

Smile

C[C@@]1(CCCN1)CN

DOS

IR

Vibrations