Geometry & MOs

Info

ID:	371214
PubChem CID:	127344342
Reduced:	ClON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	7.65
Dipole, Da:	4.15
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-propan-2-ylcyclohexyl)urea

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)NCC3(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations