Geometry & MOs

Info

ID:	335621
PubChem CID:	127254483
Reduced:	O3N6H18C19 (1)
Stoich.:	A3B6C18D19 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	7.25
Dipole, Da:	7.99
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-1,2,4-triazol-3-yl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=NNC(=N2)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations