Geometry & MOs

Info

ID:	198446
PubChem CID:	79101607
Reduced:	BrON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	232.168797
ΔH_f, kcal/mol:	7.59
Dipole, Da:	7.01
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CN(C=C1)CC2=C(C=CC(=C2)Br)OC)N

DOS

IR

Vibrations