Geometry & MOs

Info

ID:	309845
PubChem CID:	126562156
Reduced:	FO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	318.184447
ΔH_f, kcal/mol:	-87.4
Dipole, Da:	3.17
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CC(=O)NCCON=C1CCN(CC1)C2=NC=C(C=N2)C3=CC=CC(=C3F)CO

DOS

IR

Vibrations