Geometry & MOs

Info

ID:	123413
PubChem CID:	50846336
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	7.67
IP(EA), eV:	-9.07(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(cyclobutanecarbonylamino)phenyl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=O)C=C(C3=O)N4CCC(CC4)C

DOS

IR

Vibrations