Geometry & MOs

Info

ID:	49991
PubChem CID:	11538622
Reduced:	F4N4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	402.195486
ΔH_f, kcal/mol:	-158.79
Dipole, Da:	2.56
IP(EA), eV:	-9.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 5-cyano-4-(4-fluoro-2-methoxyphenyl)-2-(2-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CNCC1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)F

DOS

IR

Vibrations