Geometry & MOs

Info

ID:	418063
PubChem CID:	135103453
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	405.166411
ΔH_f, kcal/mol:	30.72
Dipole, Da:	7.61
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N(CCN(C)C)CC3=C(NC=N3)C

DOS

IR

Vibrations