Geometry & MOs

Info

ID:	189079
PubChem CID:	77813348
Reduced:	N3O6C37H59 (1)
Stoich.:	A3B6C37D59 (1)
Weight, g/mol:	504.273656
ΔH_f, kcal/mol:	-291.44
Dipole, Da:	2.75
IP(EA), eV:	-8.59(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxycyclohexyl)-3-[[3-(1-hydroxyethyl)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1=CC=C(C=C1)C)NC(=O)C(CC(C(COCC2=CC(=C(C=C2)C)OCCCOC)NCC)O)C(C)C

DOS

IR

Vibrations