Geometry & MOs

Info

ID:	138019
PubChem CID:	52301070
Reduced:	O2N7H15C19 (1)
Stoich.:	A2B7C15D19 (1)
Weight, g/mol:	373.128723
ΔH_f, kcal/mol:	82.38
Dipole, Da:	4.49
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-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

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)[C@@H]4N=C(N=C5N4C6=CC=CC=C6N5)N

DOS

IR

Vibrations