Geometry & MOs

Info

ID:	160965
PubChem CID:	57390377
Reduced:	BrION2C10H16 (1)
Stoich.:	ABCD2E10F16 (1)
Weight, g/mol:	211.112777
ΔH_f, kcal/mol:	61.31
Dipole, Da:	11.75
IP(EA), eV:	-7.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N,N-dimethyl-3-phenylbut-2-en-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C[N+]12CCC(CC1)C3(C2)CC(=NO3)Br.[I-]

DOS

IR

Vibrations