Geometry & MOs

Info

ID:	342484
PubChem CID:	127265639
Reduced:	FON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	-74.42
Dipole, Da:	5.59
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC=CC2=CC=C(C=C2)F)CCC(=O)N

DOS

IR

Vibrations