Geometry & MOs

Info

ID:	71080
PubChem CID:	48414261
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	359.03817
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	4.22
IP(EA), eV:	-9.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCN2C(=NC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations