Geometry & MOs

Info

ID:	361529
PubChem CID:	127303719
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	4.47
IP(EA), eV:	-8.67(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CN3C(=O)CCC4=CC=CC=C43

DOS

IR

Vibrations