Geometry & MOs

Info

ID:	392645
PubChem CID:	135017454
Reduced:	O3N4H10C16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	348.111007
ΔH_f, kcal/mol:	-19.22
Dipole, Da:	1.85
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(2-acetyloxyphenyl)pyrazin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NC(=O)N=C=O

DOS

IR

Vibrations