Geometry & MOs

Info

ID:	75476
PubChem CID:	48423521
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	3.69
IP(EA), eV:	-9.44(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)NC(=O)C2CC2)OCC3CC3

DOS

IR

Vibrations