Geometry & MOs

Info

ID:	207864
PubChem CID:	80462766
Reduced:	NSO2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-6.35
Dipole, Da:	3.26
IP(EA), eV:	-9.25(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=CC(=NO2)CO

DOS

IR

Vibrations