Geometry & MOs

Info

ID:	338292
PubChem CID:	127258984
Reduced:	BrN2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	65.32
Dipole, Da:	2.46
IP(EA), eV:	-9.07(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyanopropyl 2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/N(C2=CC=CC=C2)Br

DOS

IR

Vibrations