Geometry & MOs

Info

ID:	203337
PubChem CID:	79814928
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	241.124883
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	5.81
IP(EA), eV:	-8.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-ethylbutanamide

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)NC1=CN(N=C1)CC(=O)O)N

DOS

IR

Vibrations