Geometry & MOs

Info

ID:	79370
PubChem CID:	49748288
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	429.130026
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	6.45
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(CCCN3C(=O)C4=CC=CO4)C=C2)OC

DOS

IR

Vibrations