Geometry & MOs

Info

ID:	186874
PubChem CID:	77499822
Reduced:	O2N7C20H31 (1)
Stoich.:	A2B7C20D31 (1)
Weight, g/mol:	480.248504
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	11.99
IP(EA), eV:	-8.42(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-[5-[(2,6-diethylphenyl)carbamoylamino]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CCNC(=O)NN1CC2C(C1)NNC2NC(=O)CC3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations