Geometry & MOs

Info

ID:	147991
PubChem CID:	53787653
Reduced:	F2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	470.254258
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	4.43
IP(EA), eV:	-8.18(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butylcyclohexyl)-[1-[[6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]methyl]-1,2,4-triazol-3-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCNC2=C(C=C(C=C2)F)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations