Geometry & MOs

Info

ID:	446651
PubChem CID:	135276665
Reduced:	ClN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	427.129884
ΔH_f, kcal/mol:	-36.68
Dipole, Da:	6.16
IP(EA), eV:	-9.31(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-nitro-N-[2-(phenylmethoxymethyl)oxan-4-yl]quinolin-4-amine

Drug info:

PubChemData

Smile

C1CO[C@H](C[C@H]1NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])Cl)COCC4=CC=CC=C4

DOS

IR

Vibrations