Geometry & MOs

Info

ID:	379381
PubChem CID:	134419241
Reduced:	N5C55H77 (1)
Stoich.:	A5B55C77 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	16.77
Dipole, Da:	3.03
IP(EA), eV:	-8.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-(2-methyl-1,3-oxazol-4-yl)propyl]-5-propan-2-yl-1,3-oxazole

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCCC)N1C2=C(C=CC(=C2)C)C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5CCCCCCCCN7C=C(NN7)CC)C=C(C=C6)C

DOS

IR

Vibrations