Geometry & MOs

Info

ID:	342526
PubChem CID:	127265681
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	62.84
Dipole, Da:	9.16
IP(EA), eV:	-9.2(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzyl-3-[(1-methylpyrazol-3-yl)methylamino]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)C=CC2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations