Geometry & MOs

Info

ID:	170594
PubChem CID:	75258298
Reduced:	ON5H13C16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	85.23
Dipole, Da:	4.84
IP(EA), eV:	-9.17(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]-6-pyridin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NNC(=N2)C3=NC4=CC=CC=C4NC3=O

DOS

IR

Vibrations