Geometry & MOs

Info

ID:	172445
PubChem CID:	75511692
Reduced:	N5C19H23 (1)
Stoich.:	A5B19C23 (1)
Weight, g/mol:	340.181173
ΔH_f, kcal/mol:	86.54
Dipole, Da:	6.39
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CCNCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations