Geometry & MOs

Info

ID:	192021
PubChem CID:	78214632
Reduced:	NO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	202.049075
ΔH_f, kcal/mol:	-91.76
Dipole, Da:	4.99
IP(EA), eV:	-9.81(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxoquinoxalin-2-ylidene)urea

Drug info:

PubChemData

Smile

COC1=CC2=NC(=O)C=C(C2C=C1)C(=O)O

DOS

IR

Vibrations