Geometry & MOs

Info

ID:	270559
PubChem CID:	103637105
Reduced:	BrNOF3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	-205.85
Dipole, Da:	4.88
IP(EA), eV:	-9.02(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(cyclopropylmethylamino)methyl]phenol

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(F)(F)F)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations