Geometry & MOs

Info

ID:	135444
PubChem CID:	51871829
Reduced:	N2O4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	323.187186
ΔH_f, kcal/mol:	-143.05
Dipole, Da:	6.54
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(2-oxo-1H-quinolin-4-yl)methyl]-[(2-propylpyrimidin-5-yl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC[C@H]1O)C(=O)C2(CCOCC2)C[C@@H]3CC(=NO3)C4=CC=C(C=C4)C

DOS

IR

Vibrations