Geometry & MOs

Info

ID:	138418
PubChem CID:	52365167
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	359.114903
ΔH_f, kcal/mol:	-33.92
Dipole, Da:	2.82
IP(EA), eV:	-8.99(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N[C@@H](C)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations