Geometry & MOs

Info

ID:	318853
PubChem CID:	126653541
Reduced:	N2F3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-250.67
Dipole, Da:	5.47
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-1,4-dihydropyridine-3,4-diol

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC(=C(C=C2)C)OC(F)(F)F)N

DOS

IR

Vibrations