Geometry & MOs

Info

ID:	358539
PubChem CID:	127296135
Reduced:	ON6C14H24 (1)
Stoich.:	AB6C14D24 (1)
Weight, g/mol:	306.216809
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	8.13
IP(EA), eV:	-9.09(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrrolidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations