Geometry & MOs

Info

ID:	378099
PubChem CID:	134224170
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	9.27
IP(EA), eV:	-9.25(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminocyclohexa-1,5-dien-1-yl)-2-iminoacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)/C(=C(\C)/C(=NC2=CC=C(C=C2)C(=O)O)/C=C\C=C)/N

DOS

IR

Vibrations