Geometry & MOs

Info

ID:	76058
PubChem CID:	48424368
Reduced:	ClNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-102.77
Dipole, Da:	4.09
IP(EA), eV:	-9.31(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(1,4-dioxan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCCOC1=CC(=CC=C1)Cl)OCC2CC2

DOS

IR

Vibrations