Geometry & MOs

Info

ID:	345373
PubChem CID:	127269673
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-89.92
Dipole, Da:	6.23
IP(EA), eV:	-8.13(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCC(CC3)COC4=CC=CC=C4)OC1

DOS

IR

Vibrations