Geometry & MOs

Info

ID:	351931
PubChem CID:	127282849
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-93.13
Dipole, Da:	5.65
IP(EA), eV:	-9.14(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCC3CC3

DOS

IR

Vibrations