Geometry & MOs

Info

ID:	286571
PubChem CID:	104177645
Reduced:	SN5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	97.54
Dipole, Da:	3.07
IP(EA), eV:	-8.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylpropyl)-2-methyl-6-nitroquinolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)N)SC3=NC=NN3

DOS

IR

Vibrations