Geometry & MOs

Info

ID:

190558

PubChem CID:

78020737

Reduced:

NO5C16H19 (1)

Stoich.:

AB5C16D19 (1)

Weight, g/mol:

605.549543

ΔHf, kcal/mol:

-194.14

Dipole, Da:

4.18

IP(EA), eV:

 -9.24(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[7,12-bis(3-aminopropoxy)-10,13-dimethyl-17-(6-methyloctan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(CO)C(C(CO)O)O

DOS

IR

Vibrations