Geometry & MOs

Info

ID:	198746
PubChem CID:	79144761
Reduced:	BrNC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	304.05751
ΔH_f, kcal/mol:	36.62
Dipole, Da:	1.9
IP(EA), eV:	-9.15(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(C)C2=CC(=CC=C2)Br

DOS

IR

Vibrations