Geometry & MOs

Info

ID:	326311
PubChem CID:	126687311
Reduced:	FN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	299.236148
ΔH_f, kcal/mol:	-168.77
Dipole, Da:	2.4
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-3-[(Z)-1-(4,5-dimethylpyrimidin-2-yl)but-2-en-2-yl]-5-methylocta-2,6-dien-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2(C[C@@H]3CN(C[C@@H]3C2)COC4=NC(=C(C=C4)O)F)O

DOS

IR

Vibrations