Geometry & MOs

Info

ID:	122208
PubChem CID:	50798135
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	416.163711
ΔH_f, kcal/mol:	-30.48
Dipole, Da:	1.98
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-2-yl-N-[4-(pyridin-4-ylmethyl)phenyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCCOC(C)C)C3=CC=CC=N3

DOS

IR

Vibrations