Geometry & MOs

Info

ID:	393683
PubChem CID:	135021472
Reduced:	N3H25C27 (1)
Stoich.:	A3B25C27 (1)
Weight, g/mol:	365.152812
ΔH_f, kcal/mol:	161.31
Dipole, Da:	5.73
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methoxyphenyl)methyl]-4-phenyl-5-(2-phenylethynyl)triazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C(=C(N=N2)C3=CC=CC=C3)C#CC4=CC=CC=C4

DOS

IR

Vibrations