Geometry & MOs

Info

ID:	285490
PubChem CID:	104109885
Reduced:	ClNC13H24 (1)
Stoich.:	ABC13D24 (1)
Weight, g/mol:	215.118925
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	4.0
IP(EA), eV:	-9.08(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCC1CC2CCC1C2

DOS

IR

Vibrations