Geometry & MOs

Info

ID:	250476
PubChem CID:	103096917
Reduced:	NOSF2C8H17 (1)
Stoich.:	ABCD2E8F17 (1)
Weight, g/mol:	210.11907
ΔH_f, kcal/mol:	-171.46
Dipole, Da:	4.24
IP(EA), eV:	-8.28(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylbut-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C(F)F)NCC(C)(CSC)O

DOS

IR

Vibrations