Geometry & MOs

Info

ID:	417889
PubChem CID:	135103017
Reduced:	ClO4N7C35H36 (1)
Stoich.:	AB4C7D35E36 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	7.14
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-4-methoxypiperidin-3-yl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1C(=O)N3CCCNC(=O)[C@@H](NC(=O)C4=CC(=C(C=C4)OCCCN5C=C(C3)N=N5)Cl)CC6=CC=CC=C6

DOS

IR

Vibrations