Geometry & MOs

Info

ID:	332111
PubChem CID:	127250397
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	3.04
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]methyl]-1,3-dimethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC(=CC=C2)Cl)C3=NC=C(C=C3)C4=CN=C(C=C4)N

DOS

IR

Vibrations