Geometry & MOs

Info

ID:	220334
PubChem CID:	85177307
Reduced:	ClNO2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	245.191028
ΔH_f, kcal/mol:	-142.42
Dipole, Da:	4.0
IP(EA), eV:	-9.59(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-tert-butyl-N-chlorohex-4-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C1CC2CCC(N2C(=O)C1)CO)Cl

DOS

IR

Vibrations