Geometry & MOs

Info

ID:	164231
PubChem CID:	74382467
Reduced:	FSN4O6C26H39 (1)
Stoich.:	ABC4D6E26F39 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-293.48
Dipole, Da:	4.94
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)propyl 4-amino-3-propoxybenzoate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)(C)N

DOS

IR

Vibrations