Geometry & MOs

Info

ID:	177
PubChem CID:	2238
Reduced:	N3O4H11C17 (1)
Stoich.:	A3B4C11D17 (1)
Weight, g/mol:	321.074956
ΔH_f, kcal/mol:	21.71
Dipole, Da:	6.49
IP(EA), eV:	-9.61(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(imidazol-1-ylmethyl)-1-nitroxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)CN4C=CN=C4)[N+](=O)[O-]

DOS

IR

Vibrations