Geometry & MOs

Info

ID:	245316
PubChem CID:	99443288
Reduced:	N5O5C19H21 (1)
Stoich.:	A5B5C19D21 (1)
Weight, g/mol:	399.154269
ΔH_f, kcal/mol:	-118.23
Dipole, Da:	3.04
IP(EA), eV:	-8.55(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1,3-benzodioxol-5-yl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NNC(=O)[C@@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations