Geometry & MOs

Info

ID:	371500
PubChem CID:	127346658
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	332.14193
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	3.01
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(=O)N(C)C)C(=O)N2CCC(C2)CN3CCCC3

DOS

IR

Vibrations