Geometry & MOs

Info

ID:	378255
PubChem CID:	134224331
Reduced:	O4F6N7H27C31 (1)
Stoich.:	A4B6C7D27E31 (1)
Weight, g/mol:	213.15175
ΔH_f, kcal/mol:	-326.73
Dipole, Da:	6.7
IP(EA), eV:	-8.57(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-1-en-2-yl-1-cyclohexa-1,5-dien-3-yn-1-yl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CN(CCOC1=CN=C(C=C1)C2NC3=C(N2)C=C(C=C3)OC(F)(F)F)CCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F

DOS

IR

Vibrations