Geometry & MOs

Info

ID:	285299
PubChem CID:	104098980
Reduced:	ClON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	268.113567
ΔH_f, kcal/mol:	31.07
Dipole, Da:	6.72
IP(EA), eV:	-9.43(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CNCCN2C=CN=N2)O

DOS

IR

Vibrations