Geometry & MOs

Info

ID:	271287
PubChem CID:	103654057
Reduced:	FNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	1.59
IP(EA), eV:	-8.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNCCC2=CC=CC=C2OC)F

DOS

IR

Vibrations