Geometry & MOs

Info

ID:	26900
PubChem CID:	803807
Reduced:	SN4H12C18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	114.43
Dipole, Da:	3.59
IP(EA), eV:	-8.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C3=C(S2)C(=C(C(=N3)N)C#N)C4=CC=CC=C4

DOS

IR

Vibrations