Geometry & MOs

Info

ID:	158580
PubChem CID:	56464218
Reduced:	OCl2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	429.310376
ΔH_f, kcal/mol:	6.51
Dipole, Da:	1.73
IP(EA), eV:	-8.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylcarbamoylamino)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]butanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)Cl

DOS

IR

Vibrations