Geometry & MOs

Info

ID:	347080
PubChem CID:	127271584
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	338.231791
ΔH_f, kcal/mol:	-96.07
Dipole, Da:	2.4
IP(EA), eV:	-8.99(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylamino)-2-oxoethyl]-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)NC(C)CC3CCCO3

DOS

IR

Vibrations