Geometry & MOs

Info

ID:	367864
PubChem CID:	127325995
Reduced:	SO2N6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	2.19
Dipole, Da:	8.1
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CCC1=C2C(=NN=C2N(N1)C)NC(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations