Geometry & MOs

Info

ID:	270586
PubChem CID:	103637190
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	316.02113
ΔH_f, kcal/mol:	-45.49
Dipole, Da:	2.77
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(5-bromo-2-hydroxyphenyl)methylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations