Geometry & MOs

Info

ID:	55758
PubChem CID:	17396445
Reduced:	ON2S2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-33.78
Dipole, Da:	6.39
IP(EA), eV:	-8.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=C(C=C1)C2SCCS2)CN(C)C

DOS

IR

Vibrations