Geometry & MOs

Info

ID:	123439
PubChem CID:	50847503
Reduced:	OF2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	3.65
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)pyrazin-2-yl]-N-[(3,4-dimethylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=CN=C2C3=CC(=CC=C3)C(=O)NCC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations