Geometry & MOs

Info

ID:	70919
PubChem CID:	48414047
Reduced:	OSN4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	42.3
Dipole, Da:	5.22
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diacetamido-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations