Geometry & MOs

Info

ID:	245152
PubChem CID:	99437705
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	390.145868
ΔH_f, kcal/mol:	-69.47
Dipole, Da:	7.61
IP(EA), eV:	-8.87(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CC(=O)NC2=CC=C(C=C2)CN3CCC[C@@H](C3)C(=O)N)Cl

DOS

IR

Vibrations