Geometry & MOs

Info

ID:	212923
PubChem CID:	81062249
Reduced:	BNO4C14H24 (1)
Stoich.:	ABC4D14E24 (1)
Weight, g/mol:	264.163791
ΔH_f, kcal/mol:	-232.44
Dipole, Da:	4.41
IP(EA), eV:	-8.94(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

B(C1=C(C=C(C=C1)OC)CN(C)CCOC(C)C)(O)O

DOS

IR

Vibrations