Geometry & MOs

Info

ID:	414084
PubChem CID:	135087038
Reduced:	OC20H22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	253.09636
ΔH_f, kcal/mol:	9.28
Dipole, Da:	3.03
IP(EA), eV:	-9.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(benzotriazol-1-yl)pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C#CC2=CC=C(C=C2)C(C)(C)C)O

DOS

IR

Vibrations