Geometry & MOs

Info

ID:	10771
PubChem CID:	107822
Reduced:	NO4C27H35 (1)
Stoich.:	AB4C27D35 (1)
Weight, g/mol:	437.256609
ΔH_f, kcal/mol:	-179.88
Dipole, Da:	4.14
IP(EA), eV:	-8.22(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate

Drug info:

PubChemData

Smile

CC1C2CCC(CC2C3=C(N1)C=C(C=C3OC(=O)C)OC(C)CCCC4=CC=CC=C4)O

DOS

IR

Vibrations