Geometry & MOs

Info

ID:	285235
PubChem CID:	104098750
Reduced:	N5C9H13 (1)
Stoich.:	A5B9C13 (1)
Weight, g/mol:	250.215747
ΔH_f, kcal/mol:	85.58
Dipole, Da:	6.42
IP(EA), eV:	-9.01(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-N-[2-(triazol-1-yl)ethyl]cycloheptan-1-amine

Drug info:

PubChemData

Smile

C1=CNC=C1CNCCN2C=CN=N2

DOS

IR

Vibrations