Geometry & MOs

Info

ID:	446650
PubChem CID:	135276653
Reduced:	OC20H30 (1)
Stoich.:	AB20C30 (1)
Weight, g/mol:	427.129884
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	2.02
IP(EA), eV:	-8.6(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC2=C(C=CC(=C2)C(C)C)O

DOS

IR

Vibrations