Geometry & MOs

Info

ID:	28135
PubChem CID:	825795
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	237.96294
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	5.55
IP(EA), eV:	-9.27(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-bromophenyl)prop-2-ynoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CC(C)(C)C)C)C(=O)O)C

DOS

IR

Vibrations