Geometry & MOs

Info

ID:	43122
PubChem CID:	10318851
Reduced:	NO5H19C24 (1)
Stoich.:	AB5C19D24 (1)
Weight, g/mol:	401.148789
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	6.02
IP(EA), eV:	-8.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=C(C=CC(=C3)NCC4=C(C=CC(=C4)O)O)O

DOS

IR

Vibrations