Geometry & MOs

Info

ID:	83610
PubChem CID:	49858838
Reduced:	OH4C5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	1.02
IP(EA), eV:	-9.43(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R,5R,6R)-1-ethyl-6-methyl-4-phenyl-2-(prop-2-enylamino)-5,6-dihydro-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@H](O2)C(=O)OC3=CC=CC=C3

DOS

IR

Vibrations