Geometry & MOs

Info

ID:	331739
PubChem CID:	127250023
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	389.155098
ΔH_f, kcal/mol:	-91.47
Dipole, Da:	9.18
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[6-[(2,6-difluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=CC=CC(=N2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations