Geometry & MOs

Info

ID:	212925
PubChem CID:	81062251
Reduced:	NO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-177.12
Dipole, Da:	4.97
IP(EA), eV:	-9.7(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1(CCC1)C(=O)O

DOS

IR

Vibrations