Geometry & MOs

Info

ID:	167935
PubChem CID:	74899062
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	6.84
IP(EA), eV:	-8.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-4-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC(C)N1C(C2C(NNC2C1=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC

DOS

IR

Vibrations