Geometry & MOs

Info

ID:	353481
PubChem CID:	127285040
Reduced:	ClN3O3C17H26 (1)
Stoich.:	AB3C3D17E26 (1)
Weight, g/mol:	389.157326
ΔH_f, kcal/mol:	-101.87
Dipole, Da:	5.87
IP(EA), eV:	-9.17(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)NCC2(CCOCC2)N3CCCC3)Cl

DOS

IR

Vibrations