Geometry & MOs

Info

ID:	180370
PubChem CID:	76622945
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	532.166808
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	2.51
IP(EA), eV:	-8.52(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-6-thiophen-2-ylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC(COC)N

DOS

IR

Vibrations