Geometry & MOs

Info

ID:	295477
PubChem CID:	117530372
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	264.12224
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	1.33
IP(EA), eV:	-8.86(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2(CCCC2)C(=O)C

DOS

IR

Vibrations