Geometry & MOs

Info

ID:	280037
PubChem CID:	103846501
Reduced:	BrSN2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	236.97893
ΔH_f, kcal/mol:	53.07
Dipole, Da:	2.51
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)prop-2-ynamide

Drug info:

PubChemData

Smile

C1CC2=C(C1NCCC3=CSC=N3)C=CC=C2Br

DOS

IR

Vibrations