Geometry & MOs

Info

ID:	133779
PubChem CID:	51589073
Reduced:	N4O4C16H25 (1)
Stoich.:	A4B4C16D25 (1)
Weight, g/mol:	405.191323
ΔH_f, kcal/mol:	-83.93
Dipole, Da:	11.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.110422
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-7-ium-4-olate

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)CC(=O)NNC=C2C=C(C(=O)C(=C2)OC)OC

DOS

IR

Vibrations