Geometry & MOs

Info

ID:	278737
PubChem CID:	103837428
Reduced:	BrNOC9H14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	156.097272
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	3.3
IP(EA), eV:	-9.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynylsulfanyl-2-methylbutane

Drug info:

PubChemData

Smile

CC1(CC1C(=O)NCC(=C)Br)C

DOS

IR

Vibrations