Geometry & MOs

Info

ID:

42358

PubChem CID:

8149471

Reduced:

ON2C23H25 (1)

Stoich.:

AB2C23D25 (1)

Weight, g/mol:

348.192331

ΔHf, kcal/mol:

30.25

Dipole, Da:

2.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.807069

Charge, e:

 1

Chem-info

IUPAC name:

[(4R)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations