Geometry & MOs

Info

ID:	70839
PubChem CID:	48413936
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	4.8
IP(EA), eV:	-9.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations