Geometry & MOs

Info

ID:	222241
PubChem CID:	85295534
Reduced:	NO5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-199.85
Dipole, Da:	5.17
IP(EA), eV:	-9.9(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-1-phenylethanol

Drug info:

PubChemData

Smile

COCOC1CC2CNC(=O)CC2C3(C1O3)CO

DOS

IR

Vibrations