Geometry & MOs

Info

ID:	329538
PubChem CID:	126737894
Reduced:	ClN5O5C31H32 (1)
Stoich.:	AB5C5D31E32 (1)
Weight, g/mol:	567.248169
ΔH_f, kcal/mol:	-112.71
Dipole, Da:	7.65
IP(EA), eV:	-8.36(-0.56)
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-(4-prop-2-enoylpiperazin-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC3CCN(C3)C(=O)CCl)OC4=C5C=C(C(=CC5=NC=C4)OC)OC

DOS

IR

Vibrations