Geometry & MOs

Info

ID:	30540
PubChem CID:	841469
Reduced:	ClNO4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	318.173213
ΔH_f, kcal/mol:	-84.1
Dipole, Da:	2.99
IP(EA), eV:	-8.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)N

DOS

IR

Vibrations