Geometry & MOs

Info

ID:	155182
PubChem CID:	56320931
Reduced:	OSN2F3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-154.85
Dipole, Da:	2.77
IP(EA), eV:	-9.7(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CSC(=N1)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations