Geometry & MOs

Info

ID:	89447
PubChem CID:	49961807
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	421.152537
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	3.06
IP(EA), eV:	-8.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-1-(3,4,5-trimethoxyphenyl)-1H-benzo[f]chromene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC(=C2C(=O)OC)N)OC

DOS

IR

Vibrations