Geometry & MOs

Info

ID:	331891
PubChem CID:	127250177
Reduced:	ClO2N3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	443.140055
ΔH_f, kcal/mol:	14.2
Dipole, Da:	2.02
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC3=C(C=C2)N=CC=C3)C4=NC=C(C=C4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations