Geometry & MOs

Info

ID:	178689
PubChem CID:	76368836
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	463.08954
ΔH_f, kcal/mol:	-37.4
Dipole, Da:	3.61
IP(EA), eV:	-9.16(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1C2C(NC(=O)C2NN1)C3=CC=CC=C3

DOS

IR

Vibrations