Geometry & MOs

Info

ID:	424958
PubChem CID:	135124570
Reduced:	F3N3O3H26C27 (1)
Stoich.:	A3B3C3D26E27 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-241.96
Dipole, Da:	2.64
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,4R)-1-acetyl-2-methyl-4-(oxan-4-ylamino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)NC(=O)C)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations