Geometry & MOs

Info

ID:	198887
PubChem CID:	79167560
Reduced:	Cl2N2O2C9H12 (1)
Stoich.:	A2B2C2D9E12 (1)
Weight, g/mol:	221.073805
ΔH_f, kcal/mol:	-89.19
Dipole, Da:	3.97
IP(EA), eV:	-9.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-N-[(1-methylcyclopentyl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CN1C(=O)CCC(C1=O)NCC(=CCl)Cl

DOS

IR

Vibrations