Geometry & MOs

Info

ID:

88715

PubChem CID:

49956243

Reduced:

BrClNOC16H18 (1)

Stoich.:

ABCDE16F18 (1)

Weight, g/mol:

285.079953

ΔHf, kcal/mol:

35.18

Dipole, Da:

4.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -2

Chem-info

IUPAC name:

N-benzyl-3-imidazol-1-ylpropan-1-amine;dichloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCCC2=CC=CC=C2)Br.[Cl-]

DOS

IR

Vibrations