Geometry & MOs

Info

ID:	281763
PubChem CID:	103914331
Reduced:	N3C11H17 (1)
Stoich.:	A3B11C17 (1)
Weight, g/mol:	276.09662
ΔH_f, kcal/mol:	57.01
Dipole, Da:	3.54
IP(EA), eV:	-9.01(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C1=NC=CN1C)NCCCC#C

DOS

IR

Vibrations