Geometry & MOs

Info

ID:	255821
PubChem CID:	103134929
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	257.098669
ΔH_f, kcal/mol:	48.75
Dipole, Da:	2.24
IP(EA), eV:	-8.74(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCC(C)C(C1=CC=CC=C1)C(C2=NN(C=C2)C)NC

DOS

IR

Vibrations