Geometry & MOs

Info

ID:	363641
PubChem CID:	127311742
Reduced:	FON4C20H27 (1)
Stoich.:	ABC4D20E27 (1)
Weight, g/mol:	398.127631
ΔH_f, kcal/mol:	-43.46
Dipole, Da:	1.35
IP(EA), eV:	-8.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(2,4-dichlorobenzoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCC(CC1)C2=CNC3=C2C=CC(=C3)F)C4CC4

DOS

IR

Vibrations