Geometry & MOs

Info

ID:	307155
PubChem CID:	125275507
Reduced:	H3N4C5 (2)
Stoich.:	A3B4C5 (2)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	219.09
Dipole, Da:	2.06
IP(EA), eV:	-9.98(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-5-ethyl-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C1N=C2C(=CN=N2)C3=NC(=NN31)C4=NC=CN=C4

DOS

IR

Vibrations