Geometry & MOs

Info

ID:	290359
PubChem CID:	104433650
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	278.247047
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	1.1
IP(EA), eV:	-8.45(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCNCCCN2CCCCC2

DOS

IR

Vibrations