Geometry & MOs

Info

ID:	131006
PubChem CID:	51143553
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	379.123129
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	2.45
IP(EA), eV:	-9.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Cl)C(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4

DOS

IR

Vibrations