Geometry & MOs

Info

ID:	202726
PubChem CID:	79716317
Reduced:	ClN4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	298.192425
ΔH_f, kcal/mol:	12.07
Dipole, Da:	4.0
IP(EA), eV:	-8.94(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-5-ethyl-2-methylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CCN(CC1CCNCC1)CC2=NC=C(N2C)Cl

DOS

IR

Vibrations