Geometry & MOs

Info

ID:	370459
PubChem CID:	127338953
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	4.58
IP(EA), eV:	-8.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=C(C(=NN(C2=O)C)C)C)OC3CCOCC3

DOS

IR

Vibrations