Geometry & MOs

Info

ID:	324423
PubChem CID:	126677650
Reduced:	OF3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	232.099397
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	2.16
IP(EA), eV:	-8.17(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(E)-1-amino-3-iminoprop-1-enyl]pyrrolidin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)/C=C/C2=NN(C=N2)C3=CC=C(C=C3)OC(F)(F)F)N

DOS

IR

Vibrations