Geometry & MOs

Info

ID:	320433
PubChem CID:	126660925
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	336.231397
ΔH_f, kcal/mol:	-21.1
Dipole, Da:	3.05
IP(EA), eV:	-8.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-ethylphenyl)-2-methylidene-3-piperidin-1-ylpyrazin-1-yl]-N-methylethanimine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C2=CN(C(=O)C3=C2SC(=C3)C=C4CCNCC4)C

DOS

IR

Vibrations