Geometry & MOs

Info

ID:	209796
PubChem CID:	80723809
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	323.111063
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	5.34
IP(EA), eV:	-8.6(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC#N)NCC2(CCCS2)C

DOS

IR

Vibrations