Geometry & MOs

Info

ID:	138915
PubChem CID:	52442310
Reduced:	N5H21C22 (1)
Stoich.:	A5B21C22 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	137.36
Dipole, Da:	4.89
IP(EA), eV:	-8.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=N\NC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations