Geometry & MOs

Info

ID:	394022
PubChem CID:	135022178
Reduced:	NOSSiC17H27 (1)
Stoich.:	ABCDE17F27 (1)
Weight, g/mol:	374.05176
ΔH_f, kcal/mol:	-25.6
Dipole, Da:	3.54
IP(EA), eV:	-8.19(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4,5-dimethoxy-2-[3-(4-methylphenyl)prop-2-ynoxymethyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(C1=CC=CC=C1)C(=C=C)[Si](C)(C)C

DOS

IR

Vibrations