Geometry & MOs

Info

ID:	196652
PubChem CID:	78858605
Reduced:	NOSC19H27 (1)
Stoich.:	ABCD19E27 (1)
Weight, g/mol:	289.074868
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	4.01
IP(EA), eV:	-8.92(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dichloro-1H-pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C1C2CC3CC(C2)CC1C3)C(=O)CCCC4=CC=CS4

DOS

IR

Vibrations