Geometry & MOs

Info

ID:	152640
PubChem CID:	56311650
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	3.33
Dipole, Da:	6.26
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C3=NN=C(O3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations