Geometry & MOs

Info

ID:	345775
PubChem CID:	127270075
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-24.0
Dipole, Da:	3.57
IP(EA), eV:	-8.5(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations