Geometry & MOs

Info

ID:	270605
PubChem CID:	103637292
Reduced:	BrNSO2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	-34.24
Dipole, Da:	1.56
IP(EA), eV:	-8.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)CNCCC2=CC=C(S2)Br

DOS

IR

Vibrations