Geometry & MOs

Info

ID:	252371
PubChem CID:	103110870
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	6.56
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-amino-2-methylphenyl)methylamino]-1-cyclopropylpyrazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=NN=C(C=C2)C(=O)OC

DOS

IR

Vibrations