Geometry & MOs

Info

ID:	79368
PubChem CID:	49748281
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-85.07
Dipole, Da:	3.02
IP(EA), eV:	-8.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(CCCN3C(=O)C4=CC=CO4)C=C2

DOS

IR

Vibrations