Geometry & MOs

Info

ID:	350270
PubChem CID:	127277348
Reduced:	ON7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	367.212058
ΔH_f, kcal/mol:	71.03
Dipole, Da:	9.33
IP(EA), eV:	-9.21(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C=C1)C(=O)N3CCCC(C3)C4=NN=C5N4CCC5

DOS

IR

Vibrations