Geometry & MOs

Info

ID:	171426
PubChem CID:	75375991
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	275.149458
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	6.48
IP(EA), eV:	-9.11(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)C(=O)OCCN2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations