Geometry & MOs

Info

ID:	195651
PubChem CID:	78715491
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	294.160637
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	8.66
IP(EA), eV:	-9.31(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)N2C(=CC(=N2)C)NC(=O)C3=CC(=C(C=C3)C)C)C

DOS

IR

Vibrations