Geometry & MOs

Info

ID:	428016
PubChem CID:	135165745
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	290.179442
ΔH_f, kcal/mol:	-27.09
Dipole, Da:	3.75
IP(EA), eV:	-8.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2(CCC2)C3=CC=CC=C3

DOS

IR

Vibrations