Geometry & MOs

Info

ID:	164948
PubChem CID:	74476636
Reduced:	O3N4C27H42 (1)
Stoich.:	A3B4C27D42 (1)
Weight, g/mol:	462.226705
ΔH_f, kcal/mol:	-157.65
Dipole, Da:	2.63
IP(EA), eV:	-8.53(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-1-[(7-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CC2CC3CC(CCC3NC2=O)OCC)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations