Geometry & MOs

Info

ID:	138018
PubChem CID:	52300555
Reduced:	SO3N5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	373.128723
ΔH_f, kcal/mol:	62.08
Dipole, Da:	7.29
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CO4)C5CC5

DOS

IR

Vibrations