Geometry & MOs

Info

ID:	238712
PubChem CID:	92765120
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-77.41
Dipole, Da:	4.47
IP(EA), eV:	-8.39(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNC(=O)[C@H]2CC3=CC=CC=C3OC2

DOS

IR

Vibrations