Geometry & MOs

Info

ID:	126810
PubChem CID:	50979804
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-5.62
Dipole, Da:	3.5
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5,6-dimethylbenzimidazol-2-ylidene)-1,4,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)C3=C(NN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations