Geometry & MOs

Info

ID:	324449
PubChem CID:	126677691
Reduced:	NC11H23 (1)
Stoich.:	AB11C23 (1)
Weight, g/mol:	491.98256
ΔH_f, kcal/mol:	-31.65
Dipole, Da:	1.77
IP(EA), eV:	-9.26(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[3-[2-[4-(iodomethyl)phenyl]ethyl]-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CCC(C)/C=C\C(C)C(CC)N

DOS

IR

Vibrations