Geometry & MOs

Info

ID:	196470
PubChem CID:	78836327
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-12.69
Dipole, Da:	5.8
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyanomethyl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C/C=C/C1=CC=CC=C1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

DOS

IR

Vibrations