Geometry & MOs

Info

ID:	201070
PubChem CID:	79486115
Reduced:	SN2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	307.079763
ΔH_f, kcal/mol:	88.97
Dipole, Da:	3.72
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

CNCC1=C(N=C2N1C=CS2)N(C)CCC3=CC=CS3

DOS

IR

Vibrations