Geometry & MOs

Info

ID:	360101
PubChem CID:	127300486
Reduced:	FN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	293.153955
ΔH_f, kcal/mol:	-162.32
Dipole, Da:	2.69
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)NC2CCOC3=C2C=C(C=C3)F

DOS

IR

Vibrations