Geometry & MOs

Info

ID:	338739
PubChem CID:	127259750
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	362.05176
ΔH_f, kcal/mol:	33.14
Dipole, Da:	4.26
IP(EA), eV:	-8.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromopropoxy)phenyl]methyl 2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC/C=N/NC2=CC=CC=C2

DOS

IR

Vibrations