Geometry & MOs

Info

ID:	89450
PubChem CID:	49961818
Reduced:	NO3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	356.116092
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	1.87
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC(=C2C(=O)OC)N

DOS

IR

Vibrations