Geometry & MOs

Info

ID:	206094
PubChem CID:	80201863
Reduced:	Br2N2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	304.05751
ΔH_f, kcal/mol:	53.03
Dipole, Da:	3.22
IP(EA), eV:	-9.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromopyridin-3-yl)-(3-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CC=C1)Br)C2=CC(=CN=C2)Br

DOS

IR

Vibrations