Geometry & MOs

Info

ID:	365588
PubChem CID:	127318097
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	324.216141
ΔH_f, kcal/mol:	-85.53
Dipole, Da:	3.02
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylamino)-2-oxoethyl]-N-[(3-methyloxolan-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NCCN2C=CC=CC2=O

DOS

IR

Vibrations