Geometry & MOs

Info

ID:	430196
PubChem CID:	135170259
Reduced:	F2O3N4C24H36 (1)
Stoich.:	A2B3C4D24E36 (1)
Weight, g/mol:	394.273262
ΔH_f, kcal/mol:	-244.01
Dipole, Da:	2.08
IP(EA), eV:	-9.04(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[6-(cyclopropylamino)-3-(4-pyrrolidin-1-ylbutyl)-7,8,9,10-tetrahydrophenanthridin-2-yl]hydroxylamine

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(=CC3)[C@@H]4CCCN4C(=O)N5CCC(C5)(F)F

DOS

IR

Vibrations