Geometry & MOs

Info

ID:	45811
PubChem CID:	10517809
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-179.24
Dipole, Da:	3.84
IP(EA), eV:	-8.27(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethyl-2-oxochromen-7-yl)benzamide

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)OC)O)C

DOS

IR

Vibrations