Geometry & MOs

Info

ID:	199257
PubChem CID:	79223837
Reduced:	NSC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	2.3
IP(EA), eV:	-8.31(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC2CC3=CC=CC=C3S2)N

DOS

IR

Vibrations