Geometry & MOs

Info

ID:	442665
PubChem CID:	135254497
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	417.252861
ΔH_f, kcal/mol:	-9.71
Dipole, Da:	2.6
IP(EA), eV:	-9.27(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-[(3R)-3-ethenyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl]-2-methylbutyl]-6-[(1E)-1-(propan-2-ylideneamino)buta-1,3-dien-2-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC(=O)N(C=N2)C)C

DOS

IR

Vibrations