Geometry & MOs

Info

ID:	57690
PubChem CID:	22433410
Reduced:	OSN2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	17.24
Dipole, Da:	2.84
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

CCN(C1=NC(=CS1)C2=CC=C(C=C2)C)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations