Geometry & MOs

Info

ID:	343817
PubChem CID:	127266993
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	19.88
Dipole, Da:	3.93
IP(EA), eV:	-8.63(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxy-3,5-dimethylpyridin-2-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1CNC(C)C2=NN(C=N2)C)OC)C

DOS

IR

Vibrations