Geometry & MOs

Info

ID:	138917
PubChem CID:	52442831
Reduced:	N2O2C13H16 (2)
Stoich.:	A2B2C13D16 (2)
Weight, g/mol:	406.140783
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	5.56
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-6-[(4-carbamoylpiperidin-1-yl)methyl]-4-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=CC=C2)OC)CN3CCN(CC3)C4=CC=CC(=C4)C

DOS

IR

Vibrations