Geometry & MOs

Info

ID:	76384
PubChem CID:	48424857
Reduced:	ClN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	418.129549
ΔH_f, kcal/mol:	-114.5
Dipole, Da:	2.34
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C)OCC2CC2

DOS

IR

Vibrations