Geometry & MOs

Info

ID:	443664
PubChem CID:	135259711
Reduced:	N2O3C15H20 (2)
Stoich.:	A2B3C15D20 (2)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-266.94
Dipole, Da:	9.23
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)NCCNC(=O)OC(C)(C)C)N(C(C)C)C(=O)O

DOS

IR

Vibrations