Geometry & MOs

Info

ID:	364402
PubChem CID:	127315579
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	-117.3
Dipole, Da:	6.44
IP(EA), eV:	-8.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2=C(C3=C(O2)CCCC3=O)C

DOS

IR

Vibrations