Geometry & MOs

Info

ID:	321654
PubChem CID:	126666737
Reduced:	N7H19C21 (1)
Stoich.:	A7B19C21 (1)
Weight, g/mol:	467.205636
ΔH_f, kcal/mol:	148.37
Dipole, Da:	2.99
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-N-[(2S,4S)-2-methyloxan-4-yl]-3-nitroquinolin-4-amine

Drug info:

PubChemData

Smile

CN1CC[C@H](C1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NC=CN=C5

DOS

IR

Vibrations