Geometry & MOs

Info

ID:	283267
PubChem CID:	103969200
Reduced:	ClN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	283.181526
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	3.69
IP(EA), eV:	-9.28(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNCC2=CN=CC=C2)CCl

DOS

IR

Vibrations