Geometry & MOs

Info

ID:	364168
PubChem CID:	127314464
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	4.23
IP(EA), eV:	-9.58(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanophenyl)-N-[(3-methyloxetan-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NCC2CCOCC2

DOS

IR

Vibrations