Geometry & MOs

Info

ID:	176278
PubChem CID:	76024446
Reduced:	ClO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	448.166604
ΔH_f, kcal/mol:	49.64
Dipole, Da:	4.77
IP(EA), eV:	-8.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-[C-methyl-N-(2-pyrrolidin-1-ylethoxy)carbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine

Drug info:

PubChemData

Smile

CC(=NOCCCN(C)C)C1=CC=C(C=C1)NC2=C3C(=COC3=NC4=CC=CC=C42)Cl

DOS

IR

Vibrations