Geometry & MOs

Info

ID:	144122
PubChem CID:	53316635
Reduced:	ClO2N7C23H40 (1)
Stoich.:	AB2C7D23E40 (1)
Weight, g/mol:	449.139386
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	4.8
IP(EA), eV:	-9.1(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(4-chlorophenyl)methoxymethyl]-6,7-dimethoxyquinolin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)NCCN2C=C(N=N2)CCCCCC3=CN=C(N3)N)C(C)C.Cl

DOS

IR

Vibrations