Geometry & MOs

Info

ID:	133819
PubChem CID:	51593841
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	374.150954
ΔH_f, kcal/mol:	-115.87
Dipole, Da:	6.76
IP(EA), eV:	-8.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[(3R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC[C@H](CN1CCOCC1)NC(=O)CC2=COC3=CC(=CC(=C32)C)C

DOS

IR

Vibrations