Geometry & MOs

Info

ID:	364801
PubChem CID:	127316142
Reduced:	ClO2N5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	370.21689
ΔH_f, kcal/mol:	-9.23
Dipole, Da:	3.72
IP(EA), eV:	-9.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)cyclohexyl]-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)N2CCN(CC2)CC3=NC=CN3)Cl

DOS

IR

Vibrations