Geometry & MOs

Info

ID:	48512
PubChem CID:	10852048
Reduced:	FN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-113.66
Dipole, Da:	3.49
IP(EA), eV:	-9.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]sulfonylacetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC=C(C=C2)F

DOS

IR

Vibrations