Geometry & MOs

Info

ID:	170278
PubChem CID:	75214660
Reduced:	N2O3F7H23C29 (1)
Stoich.:	A2B3C7D23E29 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	-375.43
Dipole, Da:	6.24
IP(EA), eV:	-9.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[3-(1-pyrazol-1-ylethyl)-1-benzothiophen-2-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2CN3C(C2C4=CC=C(C=C4)F)CC(=CC3=O)C5=CC=[N+](C=C5)[O-]

DOS

IR

Vibrations