Geometry & MOs

Info

ID:	346449
PubChem CID:	127270953
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-15.67
Dipole, Da:	3.68
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantylamino)phenyl]-5-methyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C54)NN=C2

DOS

IR

Vibrations