Geometry & MOs

Info

ID:	255920
PubChem CID:	103135624
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	269.075346
ΔH_f, kcal/mol:	-169.93
Dipole, Da:	7.49
IP(EA), eV:	-9.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorothiophen-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C(=C(C=C2)S(=O)(=O)N)C)C

DOS

IR

Vibrations