Geometry & MOs

Info

ID:	384308
PubChem CID:	134976737
Reduced:	N3H25C29 (3)
Stoich.:	A3B25C29 (3)
Weight, g/mol:	247.940574
ΔH_f, kcal/mol:	831.3
Dipole, Da:	3.74
IP(EA), eV:	-8.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hept-1-yne;trichlorotitanium(1+)

Drug info:

Smile

CCN(CC)N=NC1=CC=C(C=C1)C#CC2=C(C34C2(CCC3)C=CC=C4)C#CC#CC5=CC(=CC(=C5)C#CC#CC6=C(C78C6(CCC7)C=CC=C8)C#CC9=CC=C(C=C9)N=NN(CC)CC)C#CC#CC1=C(C23C1(CCC2)C=CC=C3)C#CC1=CC=C(C=C1)N=NN(CC)CC

DOS

IR

Vibrations