Geometry & MOs

Info

ID:	200770
PubChem CID:	79441877
Reduced:	ClNC18H22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	348.01835
ΔH_f, kcal/mol:	8.56
Dipole, Da:	2.77
IP(EA), eV:	-9.01(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CC(CNC)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations