Geometry & MOs

Info

ID:	279913
PubChem CID:	103845620
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	1.41
IP(EA), eV:	-8.73(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC=C(C=C1)NC(=O)C)CO

DOS

IR

Vibrations