Geometry & MOs

Info

ID:	319356
PubChem CID:	126655740
Reduced:	N2F4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-142.15
Dipole, Da:	1.73
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[2-[[1-(2-hydroxyphenyl)piperidin-4-yl]amino]ethylcarbamoylamino]phenyl]-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1F)F)F)NN)F

DOS

IR

Vibrations