Geometry & MOs

Info

ID:	163028
PubChem CID:	57581412
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	627.294451
ΔH_f, kcal/mol:	37.7
Dipole, Da:	3.03
IP(EA), eV:	-8.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-[2-[[4-(3,4-diethoxyphenyl)-4-oxobutanoyl]amino]quinolin-4-yl]phenoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=NC(=C2)N)C3=CC=CC=C3

DOS

IR

Vibrations