Geometry & MOs

Info

ID:	366881
PubChem CID:	127321783
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	329.160023
ΔH_f, kcal/mol:	59.56
Dipole, Da:	5.85
IP(EA), eV:	-8.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-N-(1,3-dimethyl-2H-pyrazolo[3,4-c]pyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C2C(=NN=C2N(N1)C)NC(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations