Geometry & MOs

Info

ID:	126651
PubChem CID:	50971907
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	382.165443
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	4.19
IP(EA), eV:	-8.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[5-phenyl-3-[2-(2H-tetrazol-5-yl)ethyl]imidazol-4-yl]pyrrol-1-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)N2CCN(CC2)CC3=CC(=C(C=C3)OC)COC

DOS

IR

Vibrations