Geometry & MOs

Info

ID:	89467
PubChem CID:	49961961
Reduced:	NNaO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-91.73
Dipole, Da:	7.61
IP(EA), eV:	-8.91(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)[O-])N=CC1=CC=CC=C1.[Na+]

DOS

IR

Vibrations