Geometry & MOs

Info

ID:	322905
PubChem CID:	126671559
Reduced:	SO3N10H24C25 (1)
Stoich.:	AB3C10D24E25 (1)
Weight, g/mol:	191.092184
ΔH_f, kcal/mol:	59.17
Dipole, Da:	8.26
IP(EA), eV:	-9.05(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propan-2-yl-2-(trifluoromethyl)-1,2-dihydropyridine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)CN3C4=C(C(=N3)C(=O)N)SC(=N4)C5=CN6C(=CC(=N6)C)N=C5

DOS

IR

Vibrations