Geometry & MOs

Info

ID:	333940
PubChem CID:	127252492
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	3.07
IP(EA), eV:	-9.55(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methyl]-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CN(CCC12CC(CO2)CC3=CN=CC=C3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations