Geometry & MOs

Info

ID:	89446
PubChem CID:	49961805
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-61.59
Dipole, Da:	6.11
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)N)C)N)C#N

DOS

IR

Vibrations