Geometry & MOs

Info

ID:

443666

PubChem CID:

135259713

Reduced:

O2N4C29H32 (1)

Stoich.:

A2B4C29D32 (1)

Weight, g/mol:

494.289306

ΔHf, kcal/mol:

-28.05

Dipole, Da:

5.01

IP(EA), eV:

 -8.56(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4R)-1-acetyl-6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=CC=CC(=C2N1C(=O)C)C3=CC=C(C=C3)C(=O)N4CCCC4)NC5=NC=C(C=C5)C

DOS

IR

Vibrations