Geometry & MOs

Info

ID:	307277
PubChem CID:	125299327
Reduced:	N4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	51.93
Dipole, Da:	5.83
IP(EA), eV:	-8.89(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC2=NN(C(=C2C#N)N)C(C)(C)C)C

DOS

IR

Vibrations