Geometry & MOs

Info

ID:	138723
PubChem CID:	52415943
Reduced:	FO2N3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	217.170474
ΔH_f, kcal/mol:	-149.4
Dipole, Da:	2.59
IP(EA), eV:	-9.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S)-3-benzyl-1-cyclopropylpiperazin-4-ium

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)CCNC(=O)NCCC1=CC(=CC=C1)F

DOS

IR

Vibrations