Geometry & MOs

Info

ID:	78375
PubChem CID:	49689246
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	6.62
IP(EA), eV:	-9.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]butanamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)/C=C/C2=CC=CS2)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations