Geometry & MOs

Info

ID:	249699
PubChem CID:	103091429
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	-32.06
Dipole, Da:	1.04
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-imidazol-1-ylphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC2=C(C(=C1)Br)OCO2)N

DOS

IR

Vibrations