Geometry & MOs

Info

ID:	238710
PubChem CID:	92765118
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	4.63
IP(EA), eV:	-8.5(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-(4-methylpiperazin-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