Geometry & MOs

Info

ID:	335684
PubChem CID:	127254546
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	248.138559
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	6.94
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-N-(2H-tetrazol-5-yl)hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(C)C)NC(=O)C3=CC(=O)C(=CN3)OC

DOS

IR

Vibrations