Geometry & MOs

Info

ID:	357752
PubChem CID:	127294465
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	2.71
IP(EA), eV:	-8.53(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclobutyl-4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)NCC2=CC(=NC=C2)N3CCOCC3

DOS

IR

Vibrations