Geometry & MOs

Info

ID:	307692
PubChem CID:	125308130
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	3.91
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[5-cyclopropyl-2-(4-methyl-6-oxo-5H-pyrimidin-2-yl)pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(\C2=NC3=CC=CC=C3C(=O)C2)/C(=O)OC

DOS

IR

Vibrations