Geometry & MOs

Info

ID:	125464
PubChem CID:	50925335
Reduced:	N4O5C29H32 (1)
Stoich.:	A4B5C29D32 (1)
Weight, g/mol:	527.159882
ΔH_f, kcal/mol:	-63.67
Dipole, Da:	6.97
IP(EA), eV:	-9.23(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[4-chloro-1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone

Drug info:

PubChemData

Smile

CCCC1=C(ON=C1C2=NC(=NO2)C3=CC=C(C=C3)C(CN4CCC[C@H](C4)CC(=O)O)O)C5=CC=CC=C5

DOS

IR

Vibrations