Geometry & MOs

Info

ID:	427108
PubChem CID:	135155535
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	480.217971
ΔH_f, kcal/mol:	-99.95
Dipole, Da:	5.75
IP(EA), eV:	-8.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methoxy-8-phenylmethoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine

Drug info:

PubChemData

Smile

CN1CCC(C1)COC2=C(C=C3C4=C(CCC4)C(=O)NC3=C2)OC

DOS

IR

Vibrations