Geometry & MOs

Info

ID:	250036
PubChem CID:	103093731
Reduced:	NC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	243.084848
ΔH_f, kcal/mol:	5.3
Dipole, Da:	3.58
IP(EA), eV:	-8.33(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorothiophen-2-yl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC=CN1CC)/C

DOS

IR

Vibrations