Geometry & MOs

Info

ID:	341918
PubChem CID:	127264611
Reduced:	O6N9C41H81 (1)
Stoich.:	A6B9C41D81 (1)
Weight, g/mol:	356.92992
ΔH_f, kcal/mol:	-401.19
Dipole, Da:	5.26
IP(EA), eV:	-9.44(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromopyridin-3-yl)-N-[(6-bromopyridin-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N

DOS

IR

Vibrations