Geometry & MOs

Info

ID:	70893
PubChem CID:	48414008
Reduced:	ON6C14H14 (1)
Stoich.:	AB6C14D14 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	72.49
Dipole, Da:	0.51
IP(EA), eV:	-9.53(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzamido-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CN=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations