Geometry & MOs

Info

ID:	325926
PubChem CID:	126685618
Reduced:	N4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	103.99
Dipole, Da:	5.47
IP(EA), eV:	-9.26(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-3-hydroxy-2-methyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CCC(CC)N1C(=NC2=NC=C(N=C21)C#C)C

DOS

IR

Vibrations