Geometry & MOs

Info

ID:	157807
PubChem CID:	56437371
Reduced:	ClNO3C19H26 (1)
Stoich.:	ABC3D19E26 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-139.2
Dipole, Da:	3.07
IP(EA), eV:	-9.23(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)C1CC1C2=CC=CC=C2Cl

DOS

IR

Vibrations