Geometry & MOs

Info

ID:	426077
PubChem CID:	135136352
Reduced:	ClFN2O2H16C18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	465.173166
ΔH_f, kcal/mol:	-49.77
Dipole, Da:	1.74
IP(EA), eV:	-9.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[[3-[(E)-2-chloroprop-1-enyl]-2-fluoro-4-(methylideneamino)phenyl]methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C/C=C(\C=C(\CC1=C(C2=C(C=C1)N=CC(=C2)Cl)F)/N=C)/C(=O)OC

DOS

IR

Vibrations