Geometry & MOs

Info

ID:	123446
PubChem CID:	50847687
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	421.166938
ΔH_f, kcal/mol:	-62.37
Dipole, Da:	3.25
IP(EA), eV:	-8.9(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-[4-[3-(dimethylamino)pyrazin-2-yl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CNC(=O)CN2CCC3=CC=CC=C3C2C(=O)N4CCCC4

DOS

IR

Vibrations