Geometry & MOs

Info

ID:	171415
PubChem CID:	75375483
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	339.077454
ΔH_f, kcal/mol:	-10.25
Dipole, Da:	2.83
IP(EA), eV:	-8.72(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[2-chloro-5-(hydroxymethyl)anilino]methyl]-1,3-oxazol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

COC(=O)NC1=CC=CC(=C1)NCC2=NC=C(O2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations