Geometry & MOs

Info

ID:	70980
PubChem CID:	48414139
Reduced:	OCl2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	33.53
Dipole, Da:	5.59
IP(EA), eV:	-9.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations