Geometry & MOs

Info

ID:	347450
PubChem CID:	127272299
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	375.141676
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	4.5
IP(EA), eV:	-8.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(C)(C)CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)C

DOS

IR

Vibrations