Geometry & MOs

Info

ID:	321643
PubChem CID:	126666718
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	505.182455
ΔH_f, kcal/mol:	69.26
Dipole, Da:	2.53
IP(EA), eV:	-9.36(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-N-[(2R,4R)-2-methyloxan-4-yl]-3-nitro-6-(trifluoromethyl)quinolin-4-amine

Drug info:

PubChemData

Smile

CN1CC[C@H](C1)NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C#N

DOS

IR

Vibrations