Geometry & MOs

Info

ID:	295152
PubChem CID:	117518770
Reduced:	BrN2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	354.04667
ΔH_f, kcal/mol:	-100.4
Dipole, Da:	11.64
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)C2=CC(=NN2C)C(=O)O)OC)OC

DOS

IR

Vibrations