Geometry & MOs

Info

ID:	136038
PubChem CID:	51969909
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	4.17
IP(EA), eV:	-9.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6S)-3-cyclopropyl-4-methyl-6-(3-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H]2C(=C(N(C(=O)N2)C3CC3)C)C(=O)OC

DOS

IR

Vibrations