Geometry & MOs

Info

ID:	198556
PubChem CID:	79118854
Reduced:	FNC5H6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	209.123821
ΔH_f, kcal/mol:	-127.58
Dipole, Da:	7.14
IP(EA), eV:	-9.08(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(thiophen-2-ylmethyl)azepane

Drug info:

PubChemData

Smile

CNC1CCC(CC1)NC2=C(C=C(C=C2)C(F)(F)F)C#N

DOS

IR

Vibrations