Geometry & MOs

Info

ID:	167915
PubChem CID:	74896667
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-20.25
Dipole, Da:	4.89
IP(EA), eV:	-9.21(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethoxy-4-hydroxyphenyl)-5-(oxolan-2-ylmethyl)-3-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)N=C(N)N2CCCCC2)CC3=CC=CC=C3

DOS

IR

Vibrations