Geometry & MOs

Info

ID:	89475
PubChem CID:	49962043
Reduced:	N2O2H7C8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	306.111676
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	5.66
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-diamino-4-(4-cyanophenyl)-4H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2C3=C(C=C(C=C3)N)OC(=C2C(=O)N)N

DOS

IR

Vibrations