Geometry & MOs

Info

ID:	221273
PubChem CID:	85267079
Reduced:	NO2H23C25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	369.184112
ΔH_f, kcal/mol:	-9.98
Dipole, Da:	3.89
IP(EA), eV:	-8.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxy-1,4-diphenylbut-3-en-2-yl)benzotriazole

Drug info:

PubChemData

Smile

CC1(COC(=O)C1NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)C

DOS

IR

Vibrations