Geometry & MOs

Info

ID:	79369
PubChem CID:	49748285
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-63.39
Dipole, Da:	3.3
IP(EA), eV:	-8.39(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-3-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations