Geometry & MOs

Info

ID:	17112
PubChem CID:	484456
Reduced:	N2C13H14 (2)
Stoich.:	A2B13C14 (2)
Weight, g/mol:	396.231397
ΔH_f, kcal/mol:	119.5
Dipole, Da:	7.75
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butylphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CC=CC=C3)N4C=NN=C4

DOS

IR

Vibrations