Geometry & MOs

Info

ID:	71034
PubChem CID:	48414203
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-36.46
Dipole, Da:	2.1
IP(EA), eV:	-9.04(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylimidazol-2-yl)methoxy]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCOC2=CC=CC=C2Br

DOS

IR

Vibrations