Geometry & MOs

Info

ID:	137899
PubChem CID:	52281174
Reduced:	FO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	370.19308
ΔH_f, kcal/mol:	-84.71
Dipole, Da:	6.72
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)NC1=CN=C(C=C1)OC2=CC(=CC=C2)F

DOS

IR

Vibrations