Geometry & MOs

Info

ID:	367651
PubChem CID:	127325180
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	41.92
Dipole, Da:	5.91
IP(EA), eV:	-9.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations