Geometry & MOs

Info

ID:	321667
PubChem CID:	126666766
Reduced:	SN4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	396.135304
ΔH_f, kcal/mol:	107.55
Dipole, Da:	4.76
IP(EA), eV:	-8.88(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)CC4=CSC=N4

DOS

IR

Vibrations