Geometry & MOs

Info

ID:	288917
PubChem CID:	104328467
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	7.86
IP(EA), eV:	-8.79(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(3-piperazin-1-ylpropylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCCCNC)C(=O)O

DOS

IR

Vibrations