Geometry & MOs

Info

ID:	212202
PubChem CID:	81059803
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-194.08
Dipole, Da:	3.85
IP(EA), eV:	-9.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropylphenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=CC=CC=C1C(=O)O

DOS

IR

Vibrations