Geometry & MOs

Info

ID:	363548
PubChem CID:	127311627
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	15.2
Dipole, Da:	7.7
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfonyl-N-[(2,2-dimethylcyclopropyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)N2CCN(CC2)C3=NN=CC=C3)C

DOS

IR

Vibrations