Geometry & MOs

Info

ID:	238711
PubChem CID:	92765119
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	2.2
IP(EA), eV:	-8.17(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNC(=O)[C@@H]2CC3=CC=CC=C3OC2

DOS

IR

Vibrations