Geometry & MOs

Info

ID:	255812
PubChem CID:	103134877
Reduced:	ON2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	285.129969
ΔH_f, kcal/mol:	-76.93
Dipole, Da:	2.66
IP(EA), eV:	-8.54(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(CCC1CN)CC2CCC(O2)C

DOS

IR

Vibrations