Geometry & MOs

Info

ID:	368298
PubChem CID:	127327882
Reduced:	O3N5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	358.180504
ΔH_f, kcal/mol:	-99.89
Dipole, Da:	8.15
IP(EA), eV:	-9.0(-0.33)
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)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCCN3C(=O)CCC3=O

DOS

IR

Vibrations