Geometry & MOs

Info

ID:	233156
PubChem CID:	87692656
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	636.36943
ΔH_f, kcal/mol:	53.42
Dipole, Da:	3.66
IP(EA), eV:	-8.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NC(N(C3=C2C=C(C=C3)OCC#C)CC4=CN=C(N=C4N)N)O

DOS

IR

Vibrations