Geometry & MOs

Info

ID:	131595
PubChem CID:	51231835
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	353.196408
ΔH_f, kcal/mol:	-122.04
Dipole, Da:	4.28
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-methylpyrazol-3-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3O2

DOS

IR

Vibrations