Geometry & MOs

Info

ID:	136810
PubChem CID:	52105005
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-96.17
Dipole, Da:	3.89
IP(EA), eV:	-9.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4,6-dimethylpyrazolo[4,3-c]pyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC1=NOC(=N1)[C@H]2CCCCN2C(=O)[C@@H]3CCCO3

DOS

IR

Vibrations