Geometry & MOs

Info

ID:	345375
PubChem CID:	127269675
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	5.21
IP(EA), eV:	-8.22(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)NC3CC3C4=CC=CC=C4)OC1

DOS

IR

Vibrations