Geometry & MOs

Info

ID:	403194
PubChem CID:	135059132
Reduced:	NPC25H30 (1)
Stoich.:	ABC25D30 (1)
Weight, g/mol:	496.237545
ΔH_f, kcal/mol:	22.48
Dipole, Da:	0.95
IP(EA), eV:	-8.62(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methylphenyl)methyl]-5-[3-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]-4-phenyltriazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2C3CCCC=C3[C@H]([P@@]2C4=CC=CC=C4)C5=CC=CC=N5

DOS

IR

Vibrations