Geometry & MOs

Info

ID:	264637
PubChem CID:	103478635
Reduced:	BrClNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	375.88005
ΔH_f, kcal/mol:	-13.08
Dipole, Da:	4.74
IP(EA), eV:	-8.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(5-bromopyridin-2-yl)methyl]-3-chloroaniline

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OC)NC2=C(C(=CC=C2)Cl)Br

DOS

IR

Vibrations