Geometry & MOs

Info

ID:	169291
PubChem CID:	75085433
Reduced:	O4H18C23 (1)
Stoich.:	A4B18C23 (1)
Weight, g/mol:	250.121846
ΔH_f, kcal/mol:	-65.46
Dipole, Da:	3.24
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-phenyltriazolidin-4-yl)benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations