Geometry & MOs

Info

ID:	442362
PubChem CID:	135251574
Reduced:	PN2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	178.074228
ΔH_f, kcal/mol:	46.54
Dipole, Da:	1.55
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(5-methylpyrazin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C2CC2CP

DOS

IR

Vibrations