Geometry & MOs

Info

ID:	43260
PubChem CID:	10320368
Reduced:	N2F3O5C20H23 (1)
Stoich.:	A2B3C5D20E23 (1)
Weight, g/mol:	428.219883
ΔH_f, kcal/mol:	-320.49
Dipole, Da:	3.48
IP(EA), eV:	-9.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-amino-N-[4-[[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]methyl]phenyl]-2-methylquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N[C@@H](C)CO)/C(=O)C1=CC(=C(C(=C1F)F)C2(CC2)NC(=O)C)F

DOS

IR

Vibrations