Geometry & MOs

Info

ID:	238713
PubChem CID:	92765122
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	415.283492
ΔH_f, kcal/mol:	-73.29
Dipole, Da:	4.9
IP(EA), eV:	-8.55(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations