Geometry & MOs

Info

ID:	187022
PubChem CID:	77519625
Reduced:	FNO6C25H32 (1)
Stoich.:	ABC6D25E32 (1)
Weight, g/mol:	306.155512
ΔH_f, kcal/mol:	-297.18
Dipole, Da:	2.8
IP(EA), eV:	-9.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-1-ol;2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]oxyethanamine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=C(C(=N1)C(C)CO)CO)C2=CC=C(C=C2)F)/C=C/C(CC(CC(=O)O)O)O

DOS

IR

Vibrations