Geometry & MOs

Info

ID:	163031
PubChem CID:	57581418
Reduced:	N2O2H12C17 (1)
Stoich.:	A2B2C12D17 (1)
Weight, g/mol:	594.272987
ΔH_f, kcal/mol:	12.42
Dipole, Da:	4.81
IP(EA), eV:	-9.76(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-[2-[[4-(3,4-diethoxyphenyl)-4-oxobutanoyl]amino]-4-phenylquinolin-7-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations