Geometry & MOs

Info

ID:	206671
PubChem CID:	80281334
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	298.10446
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	4.12
IP(EA), eV:	-8.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-N-ethyl-N-[(6-methylpyridin-2-yl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

CC1COCCN1C(=O)C2=C(C=C(C=C2)C)NN

DOS

IR

Vibrations