Geometry & MOs

Info

ID:	324014
PubChem CID:	126676762
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	431.286052
ΔH_f, kcal/mol:	-76.19
Dipole, Da:	2.09
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-[2-(1-aminoethenyl)pyrrolidin-1-yl]ethenyl]-N-[(E)-3-[2-(3,3-difluoro-2-methylbutan-2-yl)pyridin-4-yl]but-2-en-2-yl]ethanimidamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)OC2=CC=CC(=C2)C3CCNCC3

DOS

IR

Vibrations