Geometry & MOs

Info

ID:	71078
PubChem CID:	48414259
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	387.06947
ΔH_f, kcal/mol:	-12.05
Dipole, Da:	5.52
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCC3=C(NN=C3)C)C

DOS

IR

Vibrations