Geometry & MOs

Info

ID:	255888
PubChem CID:	103135398
Reduced:	ClO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	261.195346
ΔH_f, kcal/mol:	-97.4
Dipole, Da:	1.37
IP(EA), eV:	-8.73(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-2-methylpyrazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)C)CCl

DOS

IR

Vibrations