Geometry & MOs

Info

ID:	71156
PubChem CID:	48414370
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	1.44
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-but-3-ynylpiperazin-1-yl)-4-oxobutyl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)CCC#C)C3=CC=C(C=C3)F

DOS

IR

Vibrations