Geometry & MOs

Info

ID:	362416
PubChem CID:	127307761
Reduced:	O3N5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-142.81
Dipole, Da:	6.74
IP(EA), eV:	-8.81(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations