Geometry & MOs

Info

ID:	414804
PubChem CID:	135087767
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	373.160183
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	5.9
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-1-(6,8-difluoro-2-methylquinolin-4-yl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1(CCN(C1)C)C(=O)N2CCCN(CC2)C(=O)C3=CC=CN(C3=O)C

DOS

IR

Vibrations