Geometry & MOs

Info

ID:	198493
PubChem CID:	79108398
Reduced:	N4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	67.87
Dipole, Da:	3.55
IP(EA), eV:	-8.56(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCCC(C1=CN(C=C1)CC2=CN3C=CC=CC3=N2)NC

DOS

IR

Vibrations