Geometry & MOs

Info

ID:	140769
PubChem CID:	52756823
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	420.100748
ΔH_f, kcal/mol:	-131.87
Dipole, Da:	8.3
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)NCC2=CC(=CC=C2)NC(=O)[C@@H]3CCCO3

DOS

IR

Vibrations