Geometry & MOs

Info

ID:	370099
PubChem CID:	127337415
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	19.76
Dipole, Da:	7.9
IP(EA), eV:	-8.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CCCC4=C3C=NN4C

DOS

IR

Vibrations