Geometry & MOs

Info

ID:	171793
PubChem CID:	75428173
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	6.56
IP(EA), eV:	-9.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-3-[(2-hydroxy-2-phenylpropyl)amino]butan-1-one

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)NC)NCC(C)(C2=CC=CC=C2)O

DOS

IR

Vibrations