Geometry & MOs

Info

ID:	198419
PubChem CID:	79098860
Reduced:	NO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	246.184447
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	4.18
IP(EA), eV:	-9.29(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CCC(=O)C1=CN(C=C1)CCOC

DOS

IR

Vibrations