Geometry & MOs

Info

ID:	167934
PubChem CID:	74898970
Reduced:	ClO3N4H23C25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	35.32
Dipole, Da:	7.77
IP(EA), eV:	-9.26(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-propan-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(C3C(NNC3C2=O)C4=CC=C(C=C4)Cl)C5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations