Geometry & MOs

Info

ID:	275102
PubChem CID:	103813826
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	4.16
IP(EA), eV:	-9.36(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)C2CCC(CC2)CN

DOS

IR

Vibrations