Geometry & MOs

Info

ID:	318953
PubChem CID:	126653864
Reduced:	O3N4H14C19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	-21.31
Dipole, Da:	2.05
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-carbamoyl-5-quinolin-7-ylindol-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=N2)C3=CC4=C(C=C3)N(C=C4C(=O)N)CC(=O)O)N=C1

DOS

IR

Vibrations