Geometry & MOs

Info

ID:	425175
PubChem CID:	135125421
Reduced:	ON2C6H6 (3)
Stoich.:	AB2C6D6 (3)
Weight, g/mol:	457.200156
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	9.55
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,4R)-1-acetyl-4-(1,3-benzodioxol-5-ylamino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC2=NN(C=C2C(=O)N)C3COCCC3C#N)C#N

DOS

IR

Vibrations