Geometry & MOs

Info

ID:	269356
PubChem CID:	103617138
Reduced:	ClNSC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	317.075346
ΔH_f, kcal/mol:	33.93
Dipole, Da:	1.43
IP(EA), eV:	-9.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations