Geometry & MOs

Info

ID:	252233
PubChem CID:	103109940
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	216.16602
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	3.73
IP(EA), eV:	-8.52(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-1-N-methyl-2-N-(thiolan-2-ylmethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C(C)OC

DOS

IR

Vibrations