Geometry & MOs

Info

ID:	149451
PubChem CID:	53789124
Reduced:	FO4N7C29H30 (1)
Stoich.:	AB4C7D29E30 (1)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	-97.58
Dipole, Da:	6.41
IP(EA), eV:	-8.99(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cycloheptyl-2-phenylpiperazine

Drug info:

PubChemData

Smile

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NC4=CN=CC=C4)C5=CC=C(C=C5)F)C(=O)NCC6CCCO6

DOS

IR

Vibrations