Geometry & MOs

Info

ID:	89473
PubChem CID:	49962037
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	390.157957
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	5.37
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,7-diamino-4-(2-methoxynaphthalen-1-yl)-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(C=C(C=C3)N)OC(=C2C(=O)N)N

DOS

IR

Vibrations