Geometry & MOs

Info

ID:	150721
PubChem CID:	53790416
Reduced:	O3N5C12H20 (1)
Stoich.:	A3B5C12D20 (1)
Weight, g/mol:	300.12407
ΔH_f, kcal/mol:	-85.74
Dipole, Da:	3.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799628
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 4-amino-3-chloro-2-methoxybenzoate

Drug info:

PubChemData

Smile

CN1C=[N+](C2=C1C(=O)N(C(=N2)N)C)CCC(CO)CO

DOS

IR

Vibrations