Geometry & MOs

Info

ID:

173101

PubChem CID:

75597069

Reduced:

NO7C20H25 (1)

Stoich.:

AB7C20D25 (1)

Weight, g/mol:

550.413444

ΔHf, kcal/mol:

-296.92

Dipole, Da:

2.13

IP(EA), eV:

 -8.18(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-benzylpiperazin-1-yl)-4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)CCN2C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations