Geometry & MOs

Info

ID:	362615
PubChem CID:	127308883
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	20.28
Dipole, Da:	6.06
IP(EA), eV:	-9.04(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)N1CCN2C=NN=C2C1)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations