Geometry & MOs

Info

ID:	364173
PubChem CID:	127314469
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-141.47
Dipole, Da:	6.77
IP(EA), eV:	-9.01(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)N2CCN(CC2)C(=O)C(C)(C)C

DOS

IR

Vibrations