Geometry & MOs

Info

ID:	338776
PubChem CID:	127259787
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	1.95
IP(EA), eV:	-8.6(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromopropyl 2-phenylacetate

Drug info:

PubChemData

Smile

CCN(CC)CCC(CC=C)OC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations