Geometry & MOs

Info

ID:	89474
PubChem CID:	49962041
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	326.101505
ΔH_f, kcal/mol:	-100.12
Dipole, Da:	1.64
IP(EA), eV:	-8.46(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC4=CC=CC=C43)OC)C=CC(=C2)N)N

DOS

IR

Vibrations