Geometry & MOs

Info

ID:	291916
PubChem CID:	113771588
Reduced:	NC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	13.29
Dipole, Da:	2.32
IP(EA), eV:	-7.93(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-[(4-methylsulfonylphenyl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN(CC)C1=CC=C(C=C1)C

DOS

IR

Vibrations