Geometry & MOs

Info

ID:	312682
PubChem CID:	126607296
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	301.195426
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	3.4
IP(EA), eV:	-9.34(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-N-buta-2,3-dien-2-yl-5-[N-(4-fluoro-2-methylphenyl)-C-methylcarbonimidoyl]-1-methylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CN1CC[C@H](C[C@@H]1C(=O)O)NC(=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations