Geometry & MOs

Info

ID:	416426
PubChem CID:	135089439
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	1.61
IP(EA), eV:	-8.68(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CCC3=CC=CC=C3)O

DOS

IR

Vibrations