Geometry & MOs

Info

ID:	89478
PubChem CID:	49962049
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	326.101505
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	5.04
IP(EA), eV:	-7.95(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C(=O)N)N)OC

DOS

IR

Vibrations