Geometry & MOs

Info

ID:	270518
PubChem CID:	103636969
Reduced:	BrNOC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	4.05
IP(EA), eV:	-8.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(1-pyridin-4-ylethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CCCCCC(C)NCC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations