Geometry & MOs

Info

ID:	141416
PubChem CID:	52874903
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	438.19032
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	3.92
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(benzylamino)-3-(2-methoxyethyl)-2,6-dioxopyrimidin-4-yl]-3-phenoxypropanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1Cl)NC(=O)[C@@H]2CCN(C2=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations