Geometry & MOs

Info

ID:

45005

PubChem CID:

10507128

Reduced:

N2O4C14H21 (2)

Stoich.:

A2B4C14D21 (2)

Weight, g/mol:

562.279135

ΔHf, kcal/mol:

-372.15

Dipole, Da:

7.36

IP(EA), eV:

 -8.42(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1CCN([C@H](C1=O)CC(=O)OC)C(=O)[C@H](CC2=CC=C(C=C2)NC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations