Geometry & MOs

Info

ID:	66102
PubChem CID:	46491121
Reduced:	ClO2N6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	19.6
Dipole, Da:	7.17
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-4-methyl-N-(1-pyridin-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=O)C3CCCN(C3)C4=NN=C(C=C4)Cl

DOS

IR

Vibrations