Geometry & MOs

Info

ID:	201118
PubChem CID:	79490123
Reduced:	BrNOSC17H22 (1)
Stoich.:	ABCDE17F22 (1)
Weight, g/mol:	323.111063
ΔH_f, kcal/mol:	-6.3
Dipole, Da:	1.39
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)N(C)CCC(C2=CC=C(C=C2)Br)O

DOS

IR

Vibrations