Geometry & MOs

Info

ID:	171614
PubChem CID:	75404793
Reduced:	SO2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-1.76
Dipole, Da:	6.36
IP(EA), eV:	-9.6(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-methoxyphenyl)piperidin-4-ylidene]amino]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C(C#N)C(=O)C2=CC=C(C=C2)C(=O)N)C

DOS

IR

Vibrations