Geometry & MOs

Info

ID:	363745
PubChem CID:	127313383
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	389.187005
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	6.96
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations