Geometry & MOs

Info

ID:	379387
PubChem CID:	134419261
Reduced:	N4H28C41 (1)
Stoich.:	A4B28C41 (1)
Weight, g/mol:	220.175105
ΔH_f, kcal/mol:	208.73
Dipole, Da:	1.37
IP(EA), eV:	-8.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-difluoroethyl)-4-(2,2-dimethylpropyl)piperazine

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C83)C9=CC=CC=C9

DOS

IR

Vibrations