Geometry & MOs

Info

ID:	132470
PubChem CID:	51366430
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	461.2162
ΔH_f, kcal/mol:	-108.31
Dipole, Da:	3.07
IP(EA), eV:	-9.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3,4-dimethoxyphenyl)-6-[(3-ethoxycarbonylpiperidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCCCCC3

DOS

IR

Vibrations