Geometry & MOs

Info

ID:	198737
PubChem CID:	79144588
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	3.58
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[5-[2-(3-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)CC(C1=O)SC2=CC=CC(=C2C)N

DOS

IR

Vibrations