Geometry & MOs

Info

ID:	131489
PubChem CID:	51212486
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-109.79
Dipole, Da:	5.13
IP(EA), eV:	-8.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(C)NC(=O)CCCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations