Geometry & MOs

Info

ID:	38048
PubChem CID:	8026623
Reduced:	Cl2N2O3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	366.170533
ΔH_f, kcal/mol:	-71.9
Dipole, Da:	4.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761368
Charge, e:	1

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC(=O)NC3=C(C=CC=C3Cl)Cl)C

DOS

IR

Vibrations