Geometry & MOs

Info

ID:	175120
PubChem CID:	75858855
Reduced:	ClNOC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	6.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008839
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine

Drug info:

PubChemData

Smile

C[NH+](CC1CCCO1)CC2=CC=CC=C2Cl

DOS

IR

Vibrations