Geometry & MOs

Info

ID:	374545
PubChem CID:	131331378
Reduced:	BrNSC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	4.23
Dipole, Da:	2.49
IP(EA), eV:	-8.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C2=C(C=CS2)Br)N

DOS

IR

Vibrations