Geometry & MOs

Info

ID:	181435
PubChem CID:	76747708
Reduced:	ClO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	3.34
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N=C(O1)N)CCC2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations