Geometry & MOs

Info

ID:	126125
PubChem CID:	50952979
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-66.16
Dipole, Da:	4.87
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCC2=NN=C(S2)NC(=O)C3CCCN(C3)CCO

DOS

IR

Vibrations