Geometry & MOs

Info

ID:	223951
PubChem CID:	85336255
Reduced:	ClN4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	58.63
Dipole, Da:	1.9
IP(EA), eV:	-8.48(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyridin-4-yl-2-[[3-(pyridin-3-ylmethoxy)phenyl]methylamino]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCC2C(=NN3C2=NCCC3)C4(CCC4)C5=CC=CC=C5Cl

DOS

IR

Vibrations