Geometry & MOs

Info

ID:	225699
PubChem CID:	87225372
Reduced:	SO6N7H23C24 (1)
Stoich.:	AB6C7D23E24 (1)
Weight, g/mol:	221.179107
ΔH_f, kcal/mol:	-149.79
Dipole, Da:	10.02
IP(EA), eV:	-9.08(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethylethanamine;1-fluoro-3-(2-methylprop-2-enoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=O)/C(=C/2\NC3=C(N2)C=C(C=C3)C(=N)N)/C=C1C(=O)N(C)C(=O)N)C4=C(C=CC(=C4)S(=O)(=O)N)O

DOS

IR

Vibrations