Geometry & MOs

Info

ID:	210500
PubChem CID:	80816102
Reduced:	NC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	285.122575
ΔH_f, kcal/mol:	64.68
Dipole, Da:	4.15
IP(EA), eV:	-8.74(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)NCC2=CN(N=C2)C

DOS

IR

Vibrations