Geometry & MOs

Info

ID:	37754
PubChem CID:	8024112
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	352.191269
ΔH_f, kcal/mol:	-73.86
Dipole, Da:	4.74
IP(EA), eV:	-9.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7,8-dimethyl-2-oxochromen-4-yl)methyl-[(4-ethoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C=CCN(CC=C)C(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

DOS

IR

Vibrations