Geometry & MOs

Info

ID:	405986
PubChem CID:	135076189
Reduced:	BrNOH16C19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	31.62
Dipole, Da:	3.57
IP(EA), eV:	-8.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-5-methoxyphenyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)Br)C

DOS

IR

Vibrations