Geometry & MOs

Info

ID:	203302
PubChem CID:	79810030
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	-123.82
Dipole, Da:	1.19
IP(EA), eV:	-9.23(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenyl-1H-1,2,4-triazol-5-yl)pentan-3-amine

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)N1CCCC(C1)CO)N

DOS

IR

Vibrations