Geometry & MOs

Info

ID:	329539
PubChem CID:	126737901
Reduced:	N5O5C32H33 (1)
Stoich.:	A5B5C32D33 (1)
Weight, g/mol:	569.263819
ΔH_f, kcal/mol:	-75.82
Dipole, Da:	10.71
IP(EA), eV:	-8.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-[(1-propanoylpyrrolidin-3-yl)amino]phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=C)OC4=C5C=C(C(=CC5=NC=C4)OC)OC

DOS

IR

Vibrations