Geometry & MOs

Info

ID:	285280
PubChem CID:	104098927
Reduced:	N2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	278.153147
ΔH_f, kcal/mol:	24.72
Dipole, Da:	4.97
IP(EA), eV:	-9.33(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-phenylphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NCCN2C=CN=N2)C

DOS

IR

Vibrations