Geometry & MOs

Info

ID:	370443
PubChem CID:	127338805
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	28.17
Dipole, Da:	2.92
IP(EA), eV:	-8.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)C(=O)N3CCCC(CC3)N4CCCC4

DOS

IR

Vibrations