Geometry & MOs

Info

ID:	367539
PubChem CID:	127324907
Reduced:	ON5C22H35 (1)
Stoich.:	AB5C22D35 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	5.68
IP(EA), eV:	-8.55(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CCC3=C(N(N=C3C)CCC#N)C

DOS

IR

Vibrations