Geometry & MOs

Info

ID:	233710
PubChem CID:	92093015
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	4.54
Dipole, Da:	6.17
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations