Geometry & MOs

Info

ID:	144135
PubChem CID:	53319016
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	389.111067
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	4.88
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methoxyphenyl)-5,6-dihydroxy-3,7,8-trimethoxychromen-4-one

Drug info:

PubChemData

Smile

CCCN1C=CC2=CC(=CC(=C2C1=O)Cl)N3CCNCC3

DOS

IR

Vibrations