Geometry & MOs

Info

ID:	201114
PubChem CID:	79489887
Reduced:	OSN2C17H30 (1)
Stoich.:	ABC2D17E30 (1)
Weight, g/mol:	322.127048
ΔH_f, kcal/mol:	-40.17
Dipole, Da:	2.83
IP(EA), eV:	-8.84(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N,N'-dimethyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)NCC1(CCOCC1)CN(C)CCC2=CC=CS2

DOS

IR

Vibrations