Geometry & MOs

Info

ID:	198401
PubChem CID:	79096856
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	1.96
IP(EA), eV:	-9.2(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(C=C1)CCOC2=CC=C(C=C2)Br)O

DOS

IR

Vibrations