Geometry & MOs

Info

ID:	325041
PubChem CID:	126679352
Reduced:	ON4H32C54 (1)
Stoich.:	AB4C32D54 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	245.21
Dipole, Da:	3.68
IP(EA), eV:	-7.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-4-(4-phenylmethoxyanilino)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)C9=C(N8C1=CC2=CC=CC=C2C=C1)C=C1C(=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations