Geometry & MOs

Info

ID:	217939
PubChem CID:	85088624
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	9.28
IP(EA), eV:	-9.07(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) 2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1C(CN(CC12CC2)C3=C(C4=C(C=C(C(=O)N4C=C3F)C(=O)O)C5CC5)C)N

DOS

IR

Vibrations