Geometry & MOs

Info

ID:	206443
PubChem CID:	80250562
Reduced:	SN2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	310.01393
ΔH_f, kcal/mol:	4.87
Dipole, Da:	0.29
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-3-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1CC(CCN1CC2=CSC=C2C)N

DOS

IR

Vibrations