Geometry & MOs

Info

ID:	37018
PubChem CID:	8016186
Reduced:	ClNO6C20H22 (1)
Stoich.:	ABC6D20E22 (1)
Weight, g/mol:	387.204573
ΔH_f, kcal/mol:	-239.01
Dipole, Da:	10.11
IP(EA), eV:	-9.66(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,8-dimethyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]-N-(3-hydroxypropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC=C(C)C)CC(=O)N[C@@H](C)C(=O)O

DOS

IR

Vibrations