Geometry & MOs

Info

ID:	448322
PubChem CID:	135290115
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	194.03063
ΔH_f, kcal/mol:	-94.59
Dipole, Da:	1.08
IP(EA), eV:	-8.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-bromopropoxy]-2-methylpropane

Drug info:

PubChemData

Smile

CN1C=C(C=N1)COC2=C(C=CC(=C2)/C=C/C(=O)NC3=CC=CC=C3C(=O)O)OC

DOS

IR

Vibrations