Geometry & MOs

Info

ID:	7311
PubChem CID:	72108
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	8.31
IP(EA), eV:	-9.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=C(C=CC=N3)OC

DOS

IR

Vibrations