Geometry & MOs

Info

ID:	427754
PubChem CID:	135162065
Reduced:	O4N5C25H31 (1)
Stoich.:	A4B5C25D31 (1)
Weight, g/mol:	451.21951
ΔH_f, kcal/mol:	-91.42
Dipole, Da:	12.3
IP(EA), eV:	-8.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[amino-[4-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]anilino]methylidene]-4-(oxan-3-ylamino)pyridin-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C2=C(C=C(C=C2)NC3=C4C(=CC=NC4=O)N(N3)C5CCCOC5)C

DOS

IR

Vibrations