Geometry & MOs

Info

ID:	358540
PubChem CID:	127296136
Reduced:	ON6C15H26 (1)
Stoich.:	AB6C15D26 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	0.13
Dipole, Da:	8.59
IP(EA), eV:	-8.89(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations