Geometry & MOs

Info

ID:	265518
PubChem CID:	103527047
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	247.093247
ΔH_f, kcal/mol:	32.16
Dipole, Da:	6.53
IP(EA), eV:	-9.18(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNCC2=NC(=CC=C2)OC

DOS

IR

Vibrations