Geometry & MOs

Info

ID:	123493
PubChem CID:	50850382
Reduced:	NC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	28.27
Dipole, Da:	4.78
IP(EA), eV:	-8.59(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[[1-(4-methylphenyl)pyrrol-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=CC=C2CNCC(C)C

DOS

IR

Vibrations