Geometry & MOs

Info

ID:	376712
PubChem CID:	134222737
Reduced:	Cl2O3N5C28H31 (1)
Stoich.:	A2B3C5D28E31 (1)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	3.47
IP(EA), eV:	-8.47(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylhexa-3,5-diyn-2-yloxymethylbenzene

Drug info:

PubChemData

Smile

CC1(CCC1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)N=CN(C4=O)CC(=O)N(C)CC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations