Geometry & MOs

Info

ID:	127452
PubChem CID:	51002562
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	272.00481
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	2.3
IP(EA), eV:	-8.47(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-bromophenyl)-3-hydroxybutanoate

Drug info:

PubChemData

Smile

C1COC(CN1CCC(=O)O)C2=CC=C(C=C2)OCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations