Geometry & MOs

Info

ID:	123325
PubChem CID:	50842499
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-4.13
Dipole, Da:	2.62
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclopropanecarbonylamino)-N-[(2,3-dimethoxyphenyl)methyl]-2-methylquinoline-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C=NC4=C3N=CC=C4)OC

DOS

IR

Vibrations