Geometry & MOs

Info

ID:	356769
PubChem CID:	127292309
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-42.39
Dipole, Da:	3.89
IP(EA), eV:	-8.64(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NC3CC4=CC=CC=C4OC3

DOS

IR

Vibrations