Geometry & MOs

Info

ID:	277396
PubChem CID:	103828262
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	11.54
Dipole, Da:	3.85
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(1,3-dimethylpyrazol-4-yl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CC1NC(=O)C2=NC3=CC=CC=C3C(=C2)N

DOS

IR

Vibrations