Geometry & MOs

Info

ID:	240721
PubChem CID:	93617193
Reduced:	ON7C17H27 (1)
Stoich.:	AB7C17D27 (1)
Weight, g/mol:	307.169605
ΔH_f, kcal/mol:	47.21
Dipole, Da:	8.52
IP(EA), eV:	-8.77(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluorophenyl)methyl-methylamino]-N-[(3R)-2-oxoazepan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@H](C)N2CCN(CC2)CC3=NN=C4N3CCCCC4

DOS

IR

Vibrations