Geometry & MOs

Info

ID:	123492
PubChem CID:	50850381
Reduced:	NC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	24.16
Dipole, Da:	3.71
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNCC1=CC=CN1C2=CC=C(C=C2)C

DOS

IR

Vibrations