Geometry & MOs

Info

ID:	263965
PubChem CID:	103410804
Reduced:	OBr2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	300.112837
ΔH_f, kcal/mol:	8.49
Dipole, Da:	3.51
IP(EA), eV:	-8.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1N)NC2=CC(=C(C=C2Br)Br)OC)C(C)C

DOS

IR

Vibrations