Geometry & MOs

Info

ID:	198494
PubChem CID:	79108399
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	2.7
IP(EA), eV:	-8.43(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(C1=CN(C=C1)CC2=C(C=CC(=C2)C)OC)NC

DOS

IR

Vibrations