Geometry & MOs

Info

ID:	366685
PubChem CID:	127320214
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-36.8
Dipole, Da:	3.02
IP(EA), eV:	-8.88(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CN2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations