Geometry & MOs

Info

ID:	188070
PubChem CID:	77665005
Reduced:	O4N5C39H45 (1)
Stoich.:	A4B5C39D45 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-89.65
Dipole, Da:	1.77
IP(EA), eV:	-8.71(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-hydroxy-3-(propylamino)propoxy]benzoyl]-5-methylideneimidazol-2-one

Drug info:

PubChemData

Smile

CC(C1CCNCC1)N(C(CC2=CC=C(C=C2)OC3=CC=CC=C3)C4C(=O)NC(C(=O)N4)CC5=CC6=CC=CC=C6C=C5)C(=O)CCN

DOS

IR

Vibrations