Geometry & MOs

Info

ID:	371879
PubChem CID:	131276815
Reduced:	ClN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	-74.61
Dipole, Da:	3.8
IP(EA), eV:	-9.88(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-1-pyrazin-2-ylethanamine

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NC(=C(C=C1)C(=O)O)Cl)N

DOS

IR

Vibrations