Geometry & MOs

Info

ID:	159992
PubChem CID:	57304343
Reduced:	OC3H6 (4)
Stoich.:	AB3C6 (4)
Weight, g/mol:	456.148367
ΔH_f, kcal/mol:	-177.46
Dipole, Da:	2.11
IP(EA), eV:	-9.73(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-[4-[2-[6-(methylamino)pyridin-2-yl]-1-(1H-pyrrol-2-yl)ethyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC(C(CCCC=C)C(OC)OC)OC

DOS

IR

Vibrations