Geometry & MOs

Info

ID:	138916
PubChem CID:	52442679
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	464.242356
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	4.02
IP(EA), eV:	-8.32(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(3-methoxyphenyl)-6-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-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)CN3CCN(CC3)C4=CC=C(C=C4)C

DOS

IR

Vibrations