Geometry & MOs

Info

ID:	56475
PubChem CID:	17435821
Reduced:	OSN5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	36.47
Dipole, Da:	7.2
IP(EA), eV:	-9.61(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NC2=NN=C(S2)CC(C)C

DOS

IR

Vibrations