Geometry & MOs

Info

ID:	197835
PubChem CID:	79005537
Reduced:	BrNOSC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	3.8
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methoxy-3-methylbutan-2-yl)but-2-enamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations