Geometry & MOs

Info

ID:	425275
PubChem CID:	135125751
Reduced:	N3O4C28H31 (1)
Stoich.:	A3B4C28D31 (1)
Weight, g/mol:	464.221226
ΔH_f, kcal/mol:	-89.53
Dipole, Da:	1.68
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCOC(C1)ONC(=O)N2CCC3(CCC4=C(O3)C=CC(=C4)C5=CC6=CC=CC=C6C=N5)CC2

DOS

IR

Vibrations