Geometry & MOs

Info

ID:	445812
PubChem CID:	135269640
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	376.212633
ΔH_f, kcal/mol:	22.25
Dipole, Da:	4.88
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-1-[(4-methylphenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)CC3=CC(=CC=C3)N4C=CC=C4

DOS

IR

Vibrations