Geometry & MOs

Info

ID:	167936
PubChem CID:	74899969
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	538.31552
ΔH_f, kcal/mol:	26.12
Dipole, Da:	6.5
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(4-methoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3C(C(=O)N(C3C4=CC=CC=C4)CCCN5C=CN=C5)NN2

DOS

IR

Vibrations