Geometry & MOs

Info

ID:	364216
PubChem CID:	127314520
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-108.29
Dipole, Da:	8.78
IP(EA), eV:	-8.57(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations