Geometry & MOs

Info

ID:	302516
PubChem CID:	124365627
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	362.236956
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	4.53
IP(EA), eV:	-8.89(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-ethylpiperidin-1-yl]-1-[(4S)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCN2[C@@H]3[C@H](NC(=O)N3)NC2=O

DOS

IR

Vibrations