Geometry & MOs

Info

ID:	291943
PubChem CID:	113896587
Reduced:	F3N6C9H11 (1)
Stoich.:	A3B6C9D11 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-55.93
Dipole, Da:	8.67
IP(EA), eV:	-9.55(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-hydroxyphenyl)methylamino]-2,5-dimethylphenol

Drug info:

PubChemData

Smile

CN(CCN)C1=NN2C(=NN=C2C(F)(F)F)C=C1

DOS

IR

Vibrations