Geometry & MOs

Info

ID:	139308
PubChem CID:	52507285
Reduced:	N6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	91.06
Dipole, Da:	5.8
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[2-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=C(C=C2)C#N)CN3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations