Geometry & MOs

Info

ID:	321608
PubChem CID:	126666676
Reduced:	OF3N4H9C15 (1)
Stoich.:	AB3C4D9E15 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	2.78
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R,4R)-2-methyloxan-4-yl]amino]-3-nitroquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)CC4=NOC(=C4)C(F)(F)F

DOS

IR

Vibrations