Geometry & MOs

Info

ID:	181434
PubChem CID:	76747707
Reduced:	WN2O3C32H38 (1)
Stoich.:	AB2C3D32E38 (1)
Weight, g/mol:	344.104003
ΔH_f, kcal/mol:	146.84
Dipole, Da:	3.17
IP(EA), eV:	-6.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-6-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1[CH-]N(C(O1)(C)C)C(=O)OC(C)(C)C.[CH2-]CC1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=CC=CC=C3.[W+2]

DOS

IR

Vibrations