Geometry & MOs

Info

ID:	291941
PubChem CID:	113895048
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	246.184447
ΔH_f, kcal/mol:	40.0
Dipole, Da:	1.54
IP(EA), eV:	-8.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

C=CN1C=C(C=N1)CNC2=CC=CC=C2CO

DOS

IR

Vibrations