Geometry & MOs

Info

ID:	45465
PubChem CID:	10513806
Reduced:	FN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	233.152607
ΔH_f, kcal/mol:	12.01
Dipole, Da:	3.6
IP(EA), eV:	-9.16(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z)-2-deuterio-5-phenylpent-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCN1CC#N)CC2=CC=C(C=C2)F

DOS

IR

Vibrations