Geometry & MOs

Info

ID:	131245
PubChem CID:	51181027
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-137.76
Dipole, Da:	4.74
IP(EA), eV:	-8.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations