Geometry & MOs

Info

ID:	147041
PubChem CID:	53786223
Reduced:	SN3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	360.136159
ΔH_f, kcal/mol:	49.25
Dipole, Da:	3.39
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-methoxy-6-methyl-2-phenyl-2H-benzo[h]chromene-5-carboxylate

Drug info:

PubChemData

Smile

CN=C(N(C)CC1=CN=CC=C1)SC

DOS

IR

Vibrations