Geometry & MOs

Info

ID:	442013
PubChem CID:	135247888
Reduced:	INOC8H12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	395.177982
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	2.31
IP(EA), eV:	-10.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3R)-3-aminopiperidin-1-yl]methylideneamino]-N-[(2-cyanophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC/C(=C\CCI)/C(C#N)O

DOS

IR

Vibrations