Geometry & MOs

Info

ID:	198055
PubChem CID:	79038579
Reduced:	ClN2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	2.68
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1CCCN(CC1)CC2=NC(=CC=C2)Cl

DOS

IR

Vibrations