Geometry & MOs

Info

ID:	304498
PubChem CID:	124756033
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	290.247047
ΔH_f, kcal/mol:	14.59
Dipole, Da:	1.49
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@@H]2CCCCN2CC3=NN=C(O3)C

DOS

IR

Vibrations